1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone

C18H26N2O — CID 20673114

IUPAC1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-15(21)16-5-7-17(8-6-16)20-13-9-18(10-14-20)19-11-3-2-4-12-19/h5-8,18H,2-4,9-14H2,1H3
InChIKeyPTBHTEVEAZKMSG-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.34
Rot. Bonds3

About 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone

1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone (PubChem CID 20673114) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
PubChem CID20673114
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-15(21)16-5-7-17(8-6-16)20-13-9-18(10-14-20)19-11-3-2-4-12-19/h5-8,18H,2-4,9-14H2,1H3
InChIKeyPTBHTEVEAZKMSG-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-[4-[4-(thian-4-yl)piperazin-1-yl]phenyl]ethanone
CID 91833277
1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 63150977
1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
CID 2846303
4-(4-piperidin-1-ylpiperidin-1-yl)benzenesulfonic acid
CID 22146992
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
CID 165092457
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
N-(4-acetylphenyl)-4-[5-methyl-2-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 171559336

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone (CID 20673114) is 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is PTBHTEVEAZKMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15(21)16-5-7-17(8-6-16)20-13-9-18(10-14-20)19-11-3-2-4-12-19/h5-8,18H,2-4,9-14H2,1H3.
What are the key properties of 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone?
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 286.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 20673114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).