6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole

C22H26N2 — CID 174880167

IUPAC6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
SMILESc1ccc(CN2CCC(CCc3ccc4cc[nH]c4c3)CC2)cc1
InChIInChI=1S/C22H26N2/c1-2-4-20(5-3-1)17-24-14-11-18(12-15-24)6-7-19-8-9-21-10-13-23-22(21)16-19/h1-5,8-10,13,16,18,23H,6-7,11-12,14-15,17H2
InChIKeyPKGLHQVKSVBJLY-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.01
Rot. Bonds5

About 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole

6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole (PubChem CID 174880167) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
PubChem CID174880167
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
SMILESc1ccc(CN2CCC(CCc3ccc4cc[nH]c4c3)CC2)cc1
InChIInChI=1S/C22H26N2/c1-2-4-20(5-3-1)17-24-14-11-18(12-15-24)6-7-19-8-9-21-10-13-23-22(21)16-19/h1-5,8-10,13,16,18,23H,6-7,11-12,14-15,17H2
InChIKeyPKGLHQVKSVBJLY-UHFFFAOYSA-N
XLogP5.01
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508
6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole
CID 130972580
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
1,4-bis(2-phenylethyl)piperidine
CID 86059939
3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
CID 19058082
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine
CID 90197963
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
CID 82667436
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
2-[[1-(1H-indol-6-ylmethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 166274402

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole?
The IUPAC name of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole (CID 174880167) is 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole.
What is the SMILES notation for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole?
The canonical SMILES for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole is c1ccc(CN2CCC(CCc3ccc4cc[nH]c4c3)CC2)cc1.
What is the InChIKey of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole?
The InChIKey is PKGLHQVKSVBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-2-4-20(5-3-1)17-24-14-11-18(12-15-24)6-7-19-8-9-21-10-13-23-22(21)16-19/h1-5,8-10,13,16,18,23H,6-7,11-12,14-15,17H2.
What are the key properties of 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole?
6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole has a molecular weight of 318.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole is sourced from PubChem (CID 174880167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).