4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride

C125H139ClN10O9 — CID 157427121

IUPAC4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)nc1)c1ccccc1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OC2CCNC2)nc1)c1ccccc1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)nc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(CCCN(C)C)nc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cn1)c1ccccc1.Cl
InChIInChI=1S/C26H30N2O.C25H26N2O2.2C25H28N2O2.C24H26N2O2.ClH/c1-4-25(20-9-6-5-7-10-20)26(21-13-16-24(29)17-14-21)22-12-15-23(27-19-22)11-8-18-28(2)3;1-2-23(18-6-4-3-5-7-18)25(19-8-11-21(28)12-9-19)20-10-13-24(27-16-20)29-22-14-15-26-17-22;1-4-23(19-8-6-5-7-9-19)25(20-10-13-22(28)14-11-20)21-12-15-24(26-18-21)29-17-16-27(2)3;1-4-23(19-8-6-5-7-9-19)25(20-10-12-21(28)13-11-20)24-15-14-22(18-26-24)29-17-16-27(2)3;1-3-22(18-7-5-4-6-8-18)24(19-9-12-21(27)13-10-19)20-11-14-23(26-17-20)28-16-15-25-2;/h5-7,9-10,12-17,19,29H,4,8,11,18H2,1-3H3;3-13,16,22,26,28H,2,14-15,17H2,1H3;2*5-15,18,28H,4,16-17H2,1-3H3;4-14,17,25,27H,3,15-16H2,1-2H3;1H/b;2*25-23-;;24-22+;
InChIKeyBWXOMNYPINSBOM-HEDKDACOSA-N
MW1961.00 g/mol
LogP25.92
Rot. Bonds38

About 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride

4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride (PubChem CID 157427121) has the molecular formula C125H139ClN10O9 and a molecular weight of 1961.00 g/mol. Its IUPAC name is 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride
PubChem CID157427121
Molecular FormulaC125H139ClN10O9
Molecular Weight1961.00 g/mol
Exact Mass1959.04
IUPAC Name4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)nc1)c1ccccc1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OC2CCNC2)nc1)c1ccccc1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)nc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(CCCN(C)C)nc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cn1)c1ccccc1.Cl
InChIInChI=1S/C26H30N2O.C25H26N2O2.2C25H28N2O2.C24H26N2O2.ClH/c1-4-25(20-9-6-5-7-10-20)26(21-13-16-24(29)17-14-21)22-12-15-23(27-19-22)11-8-18-28(2)3;1-2-23(18-6-4-3-5-7-18)25(19-8-11-21(28)12-9-19)20-10-13-24(27-16-20)29-22-14-15-26-17-22;1-4-23(19-8-6-5-7-9-19)25(20-10-13-22(28)14-11-20)21-12-15-24(26-18-21)29-17-16-27(2)3;1-4-23(19-8-6-5-7-9-19)25(20-10-12-21(28)13-11-20)24-15-14-22(18-26-24)29-17-16-27(2)3;1-3-22(18-7-5-4-6-8-18)24(19-9-12-21(27)13-10-19)20-11-14-23(26-17-20)28-16-15-25-2;/h5-7,9-10,12-17,19,29H,4,8,11,18H2,1-3H3;3-13,16,22,26,28H,2,14-15,17H2,1H3;2*5-15,18,28H,4,16-17H2,1-3H3;4-14,17,25,27H,3,15-16H2,1-2H3;1H/b;2*25-23-;;24-22+;
InChIKeyBWXOMNYPINSBOM-HEDKDACOSA-N
XLogP25.92
TPSA236.30 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds38
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001961.00
LogP ≤ 525.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride?
The IUPAC name of 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride (CID 157427121) is 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride.
What is the SMILES notation for 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride?
The canonical SMILES for 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride is CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)nc1)c1ccccc1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OC2CCNC2)nc1)c1ccccc1.CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)nc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(CCCN(C)C)nc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cn1)c1ccccc1.Cl.
What is the InChIKey of 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride?
The InChIKey is BWXOMNYPINSBOM-HEDKDACOSA-N. The full InChI is InChI=1S/C26H30N2O.C25H26N2O2.2C25H28N2O2.C24H26N2O2.ClH/c1-4-25(20-9-6-5-7-10-20)26(21-13-16-24(29)17-14-21)22-12-15-23(27-19-22)11-8-18-28(2)3;1-2-23(18-6-4-3-5-7-18)25(19-8-11-21(28)12-9-19)20-10-13-24(27-16-20)29-22-14-15-26-17-22;1-4-23(19-8-6-5-7-9-19)25(20-10-13-22(28)14-11-20)21-12-15-24(26-18-21)29-17-16-27(2)3;1-4-23(19-8-6-5-7-9-19)25(20-10-12-21(28)13-11-20)24-15-14-22(18-26-24)29-17-16-27(2)3;1-3-22(18-7-5-4-6-8-18)24(19-9-12-21(27)13-10-19)20-11-14-23(26-17-20)28-16-15-25-2;/h5-7,9-10,12-17,19,29H,4,8,11,18H2,1-3H3;3-13,16,22,26,28H,2,14-15,17H2,1H3;2*5-15,18,28H,4,16-17H2,1-3H3;4-14,17,25,27H,3,15-16H2,1-2H3;1H/b;2*25-23-;;24-22+;.
What are the key properties of 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride?
4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride has a molecular weight of 1961.00 g/mol, XLogP of 25.92, 38 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-(6-pyrrolidin-3-yloxy-3-pyridinyl)but-1-enyl]phenol;hydrochloride is sourced from PubChem (CID 157427121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).