2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone

C18H26N2O — CID 67794190

IUPAC2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
SMILESO=C(CN1CCC(c2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C18H26N2O/c21-18(17-6-10-19-11-7-17)14-20-12-8-16(9-13-20)15-4-2-1-3-5-15/h1-5,16-17,19H,6-14H2
InChIKeyNUQJIRJABKVXAD-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone

2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone (PubChem CID 67794190) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
PubChem CID67794190
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
SMILESO=C(CN1CCC(c2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C18H26N2O/c21-18(17-6-10-19-11-7-17)14-20-12-8-16(9-13-20)15-4-2-1-3-5-15/h1-5,16-17,19H,6-14H2
InChIKeyNUQJIRJABKVXAD-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
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1-(azepan-4-yl)-2-piperidin-1-ylethanone
CID 115007035
2-(1,4-diazepan-1-yl)-1-(3-phenylpyrrolidin-1-yl)ethanone
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(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
methanamine;4-phenylpiperidine
CID 143444696
1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one
CID 71325657
4-phenyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119931344
2-[4-[(4-piperidin-4-ylphenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 18783777
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid
CID 158544804

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone (CID 67794190) is 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone is O=C(CN1CCC(c2ccccc2)CC1)C1CCNCC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone?
The InChIKey is NUQJIRJABKVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(17-6-10-19-11-7-17)14-20-12-8-16(9-13-20)15-4-2-1-3-5-15/h1-5,16-17,19H,6-14H2.
What are the key properties of 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone?
2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone has a molecular weight of 286.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 67794190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).