1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride

C27H31ClN2O2 — CID 18782760

IUPAC1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride
SMILESCOc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1.Cl
InChIInChI=1S/C27H30N2O2.ClH/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29;/h2-7,9-14,30H,8,15-20H2,1H3;1H
InChIKeyWDFXPKKFSNMGOO-UHFFFAOYSA-N
MW451.01 g/mol
LogP5.60
Rot. Bonds6

About 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride

1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride (PubChem CID 18782760) has the molecular formula C27H31ClN2O2 and a molecular weight of 451.01 g/mol. Its IUPAC name is 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride
PubChem CID18782760
Molecular FormulaC27H31ClN2O2
Molecular Weight451.01 g/mol
Exact Mass450.21
IUPAC Name1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride
SMILESCOc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1.Cl
InChIInChI=1S/C27H30N2O2.ClH/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29;/h2-7,9-14,30H,8,15-20H2,1H3;1H
InChIKeyWDFXPKKFSNMGOO-UHFFFAOYSA-N
XLogP5.60
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.01
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride (CID 18782760) is 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride is COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1.Cl.
What is the InChIKey of 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride?
The InChIKey is WDFXPKKFSNMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2.ClH/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29;/h2-7,9-14,30H,8,15-20H2,1H3;1H.
What are the key properties of 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride?
1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride has a molecular weight of 451.01 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 18782760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).