2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol

C23H26Cl2N2O — CID 123845193

IUPAC2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol
SMILESCc1cc2cc(Cl)ccc2n1CC(O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26Cl2N2O/c1-16-12-19-13-21(25)6-7-22(19)27(16)15-23(28)18-8-10-26(11-9-18)14-17-2-4-20(24)5-3-17/h2-7,12-13,18,23,28H,8-11,14-15H2,1H3
InChIKeyWLOHDIWOZMWHMJ-UHFFFAOYSA-N
MW417.38 g/mol
LogP5.53
Rot. Bonds5

About 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol

2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 123845193) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol
PubChem CID123845193
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC Name2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol
SMILESCc1cc2cc(Cl)ccc2n1CC(O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26Cl2N2O/c1-16-12-19-13-21(25)6-7-22(19)27(16)15-23(28)18-8-10-26(11-9-18)14-17-2-4-20(24)5-3-17/h2-7,12-13,18,23,28H,8-11,14-15H2,1H3
InChIKeyWLOHDIWOZMWHMJ-UHFFFAOYSA-N
XLogP5.53
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine
CID 66764740
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 155568608
5-chloro-2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CID 75615042
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
[5-chloro-2-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-hydroxyethoxy]phenyl]urea;methane
CID 24764466
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
2-chloro-4-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550473
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol (CID 123845193) is 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol is Cc1cc2cc(Cl)ccc2n1CC(O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is WLOHDIWOZMWHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O/c1-16-12-19-13-21(25)6-7-22(19)27(16)15-23(28)18-8-10-26(11-9-18)14-17-2-4-20(24)5-3-17/h2-7,12-13,18,23,28H,8-11,14-15H2,1H3.
What are the key properties of 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol?
2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 417.38 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylindol-1-yl)-1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 123845193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).