3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride

C23H26Cl2N2 — CID 10386307

IUPAC3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride
SMILESCl.Clc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H25ClN2.ClH/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23;/h1-2,6-12,17,25H,3-5,13-16H2;1H
InChIKeyCQIVJXIPGYMOJP-UHFFFAOYSA-N
MW401.38 g/mol
LogP6.36
Rot. Bonds6

About 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride

3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride (PubChem CID 10386307) has the molecular formula C23H26Cl2N2 and a molecular weight of 401.38 g/mol. Its IUPAC name is 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride
PubChem CID10386307
Molecular FormulaC23H26Cl2N2
Molecular Weight401.38 g/mol
Exact Mass400.15
IUPAC Name3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride
SMILESCl.Clc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H25ClN2.ClH/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23;/h1-2,6-12,17,25H,3-5,13-16H2;1H
InChIKeyCQIVJXIPGYMOJP-UHFFFAOYSA-N
XLogP6.36
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483148
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483108
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
CID 70364403
3-[4-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883250
3-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 92650578
2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483326
3-[2-[4-(4-butoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethylsulfanylmethyl]-1H-indole
CID 57241611

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride?
The IUPAC name of 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride (CID 10386307) is 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride.
What is the SMILES notation for 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride?
The canonical SMILES for 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride is Cl.Clc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride?
The InChIKey is CQIVJXIPGYMOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2.ClH/c24-21-10-8-18(9-11-21)19-12-15-26(16-13-19)14-4-3-5-20-17-25-23-7-2-1-6-22(20)23;/h1-2,6-12,17,25H,3-5,13-16H2;1H.
What are the key properties of 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride?
3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride has a molecular weight of 401.38 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride is sourced from PubChem (CID 10386307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).