3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride

C21H32ClN3 — CID 18001248

IUPAC3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
SMILESCl.c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1
InChIInChI=1S/C21H31N3.ClH/c1-4-11-23(12-5-1)13-6-14-24-15-9-18(10-16-24)20-17-22-21-8-3-2-7-19(20)21;/h2-3,7-8,17-18,22H,1,4-6,9-16H2;1H
InChIKeyRANOQEPTYUYFNY-UHFFFAOYSA-N
MW361.96 g/mol
LogP4.65
Rot. Bonds5

About 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride

3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride (PubChem CID 18001248) has the molecular formula C21H32ClN3 and a molecular weight of 361.96 g/mol. Its IUPAC name is 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
PubChem CID18001248
Molecular FormulaC21H32ClN3
Molecular Weight361.96 g/mol
Exact Mass361.23
IUPAC Name3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
SMILESCl.c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1
InChIInChI=1S/C21H31N3.ClH/c1-4-11-23(12-5-1)13-6-14-24-15-9-18(10-16-24)20-17-22-21-8-3-2-7-19(20)21;/h2-3,7-8,17-18,22H,1,4-6,9-16H2;1H
InChIKeyRANOQEPTYUYFNY-UHFFFAOYSA-N
XLogP4.65
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.96
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole
CID 70036582
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-1H-benzimidazol-2-one
CID 13056042
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride?
The IUPAC name of 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride (CID 18001248) is 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride.
What is the SMILES notation for 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride?
The canonical SMILES for 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride is Cl.c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1.
What is the InChIKey of 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride?
The InChIKey is RANOQEPTYUYFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3.ClH/c1-4-11-23(12-5-1)13-6-14-24-15-9-18(10-16-24)20-17-22-21-8-3-2-7-19(20)21;/h2-3,7-8,17-18,22H,1,4-6,9-16H2;1H.
What are the key properties of 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride?
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride is sourced from PubChem (CID 18001248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).