1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine

C19H31N3 — CID 142300501

IUPAC1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESC=CN1C(C(C)N2CCC(N(C)C)CC2)=C(C)C=C/C1=C/C
InChIInChI=1S/C19H31N3/c1-7-17-10-9-15(3)19(22(17)8-2)16(4)21-13-11-18(12-14-21)20(5)6/h7-10,16,18H,2,11-14H2,1,3-6H3/b17-7-
InChIKeyBTKQLQAYDSMOSU-IDUWFGFVSA-N
MW301.48 g/mol
LogP3.59
Rot. Bonds4

About 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine

1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 142300501) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID142300501
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESC=CN1C(C(C)N2CCC(N(C)C)CC2)=C(C)C=C/C1=C/C
InChIInChI=1S/C19H31N3/c1-7-17-10-9-15(3)19(22(17)8-2)16(4)21-13-11-18(12-14-21)20(5)6/h7-10,16,18H,2,11-14H2,1,3-6H3/b17-7-
InChIKeyBTKQLQAYDSMOSU-IDUWFGFVSA-N
XLogP3.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine (CID 142300501) is 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine is C=CN1C(C(C)N2CCC(N(C)C)CC2)=C(C)C=C/C1=C/C.
What is the InChIKey of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is BTKQLQAYDSMOSU-IDUWFGFVSA-N. The full InChI is InChI=1S/C19H31N3/c1-7-17-10-9-15(3)19(22(17)8-2)16(4)21-13-11-18(12-14-21)20(5)6/h7-10,16,18H,2,11-14H2,1,3-6H3/b17-7-.
What are the key properties of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine?
1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 301.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 142300501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).