1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole

C25H32N2 — CID 70547247

IUPAC1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
SMILESCCn1cc(CCCCN2CCC(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H32N2/c1-2-27-20-23(24-13-6-7-14-25(24)27)12-8-9-17-26-18-15-22(16-19-26)21-10-4-3-5-11-21/h3-7,10-11,13-14,20,22H,2,8-9,12,15-19H2,1H3
InChIKeyDPGWGVFGMVIOIJ-UHFFFAOYSA-N
MW360.55 g/mol
LogP5.86
Rot. Bonds7

About 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole

1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole (PubChem CID 70547247) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
PubChem CID70547247
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
SMILESCCn1cc(CCCCN2CCC(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H32N2/c1-2-27-20-23(24-13-6-7-14-25(24)27)12-8-9-17-26-18-15-22(16-19-26)21-10-4-3-5-11-21/h3-7,10-11,13-14,20,22H,2,8-9,12,15-19H2,1H3
InChIKeyDPGWGVFGMVIOIJ-UHFFFAOYSA-N
XLogP5.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]methanone
CID 173457888
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
4,7-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70545083
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
2-(1-ethylindol-3-yl)ethyl-diphenylphosphane
CID 101444467
4-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]butan-2-one
CID 58967679
3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
CID 70542429
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole?
The IUPAC name of 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole (CID 70547247) is 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole.
What is the SMILES notation for 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole?
The canonical SMILES for 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole is CCn1cc(CCCCN2CCC(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole?
The InChIKey is DPGWGVFGMVIOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-2-27-20-23(24-13-6-7-14-25(24)27)12-8-9-17-26-18-15-22(16-19-26)21-10-4-3-5-11-21/h3-7,10-11,13-14,20,22H,2,8-9,12,15-19H2,1H3.
What are the key properties of 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole?
1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole has a molecular weight of 360.55 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole is sourced from PubChem (CID 70547247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).