1-(1-butylpiperidin-4-yl)indole

C17H24N2 — CID 23215946

IUPAC1-(1-butylpiperidin-4-yl)indole
SMILESCCCCN1CCC(n2ccc3ccccc32)CC1
InChIInChI=1S/C17H24N2/c1-2-3-11-18-12-9-16(10-13-18)19-14-8-15-6-4-5-7-17(15)19/h4-8,14,16H,2-3,9-13H2,1H3
InChIKeyNGVSTLHNRZFSCM-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.08
Rot. Bonds4

About 1-(1-butylpiperidin-4-yl)indole

1-(1-butylpiperidin-4-yl)indole (PubChem CID 23215946) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1-butylpiperidin-4-yl)indole.

Molecular Properties

Compound Name1-(1-butylpiperidin-4-yl)indole
PubChem CID23215946
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(1-butylpiperidin-4-yl)indole
SMILESCCCCN1CCC(n2ccc3ccccc32)CC1
InChIInChI=1S/C17H24N2/c1-2-3-11-18-12-9-16(10-13-18)19-14-8-15-6-4-5-7-17(15)19/h4-8,14,16H,2-3,9-13H2,1H3
InChIKeyNGVSTLHNRZFSCM-UHFFFAOYSA-N
XLogP4.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole
CID 23377416
1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole
CID 22989591
6-[2-(4-indol-1-ylpiperidin-1-yl)ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70004899
1-[2-(4-methylpiperidin-1-yl)ethyl]indole
CID 22989568
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole
CID 22989675
6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
CID 174406015
2-(1-butylpiperidin-4-yl)-3H-isoindol-1-one
CID 57273753
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole
CID 58652162
(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone
CID 68621990
1-[1-(1-ethylpiperidin-4-yl)indol-6-yl]ethanol
CID 174405301

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylpiperidin-4-yl)indole?
The IUPAC name of 1-(1-butylpiperidin-4-yl)indole (CID 23215946) is 1-(1-butylpiperidin-4-yl)indole.
What is the SMILES notation for 1-(1-butylpiperidin-4-yl)indole?
The canonical SMILES for 1-(1-butylpiperidin-4-yl)indole is CCCCN1CCC(n2ccc3ccccc32)CC1.
What is the InChIKey of 1-(1-butylpiperidin-4-yl)indole?
The InChIKey is NGVSTLHNRZFSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-3-11-18-12-9-16(10-13-18)19-14-8-15-6-4-5-7-17(15)19/h4-8,14,16H,2-3,9-13H2,1H3.
What are the key properties of 1-(1-butylpiperidin-4-yl)indole?
1-(1-butylpiperidin-4-yl)indole has a molecular weight of 256.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpiperidin-4-yl)indole is sourced from PubChem (CID 23215946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).