(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone

C18H26N2O — CID 91806523

IUPAC(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H26N2O/c1-19-11-7-17(8-12-19)18(21)20-13-9-16(10-14-20)15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
InChIKeyKYPZJRZHQOELMO-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.73
Rot. Bonds2

About (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone

(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 91806523) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID91806523
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H26N2O/c1-19-11-7-17(8-12-19)18(21)20-13-9-16(10-14-20)15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
InChIKeyKYPZJRZHQOELMO-UHFFFAOYSA-N
XLogP2.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
(4-phenylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 39580157
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799605
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone (CID 91806523) is (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone is CN1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is KYPZJRZHQOELMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-11-7-17(8-12-19)18(21)20-13-9-16(10-14-20)15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone?
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 91806523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).