3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole

C20H22N2 — CID 10851078

IUPAC3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole
SMILESc1ccc(C2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C20H22N2/c1-2-6-16(7-3-1)17-10-12-22(13-11-17)15-18-14-21-20-9-5-4-8-19(18)20/h1-9,14,17,21H,10-13,15H2
InChIKeyXNXQFTTXHFQTRX-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.55
Rot. Bonds3

About 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole

3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole (PubChem CID 10851078) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole
PubChem CID10851078
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole
SMILESc1ccc(C2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C20H22N2/c1-2-6-16(7-3-1)17-10-12-22(13-11-17)15-18-14-21-20-9-5-4-8-19(18)20/h1-9,14,17,21H,10-13,15H2
InChIKeyXNXQFTTXHFQTRX-UHFFFAOYSA-N
XLogP4.55
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole (CID 10851078) is 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole is c1ccc(C2CCN(Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole?
The InChIKey is XNXQFTTXHFQTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-2-6-16(7-3-1)17-10-12-22(13-11-17)15-18-14-21-20-9-5-4-8-19(18)20/h1-9,14,17,21H,10-13,15H2.
What are the key properties of 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole?
3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole has a molecular weight of 290.41 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpiperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 10851078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).