[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone

C19H28N2O — CID 883903

IUPAC[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O/c1-16-5-7-17(8-6-16)15-20-13-9-18(10-14-20)19(22)21-11-3-2-4-12-21/h5-8,18H,2-4,9-15H2,1H3
InChIKeyZWRKEFRBUMLBJJ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.22
Rot. Bonds3

About [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 883903) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID883903
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O/c1-16-5-7-17(8-6-16)15-20-13-9-18(10-14-20)19(22)21-11-3-2-4-12-21/h5-8,18H,2-4,9-15H2,1H3
InChIKeyZWRKEFRBUMLBJJ-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 807342
1-[(4-methylphenyl)methyl]azepane
CID 3951815
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450466
N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42527282
(1-benzylpiperidin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46774180
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 883903) is [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone is Cc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is ZWRKEFRBUMLBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16-5-7-17(8-6-16)15-20-13-9-18(10-14-20)19(22)21-11-3-2-4-12-21/h5-8,18H,2-4,9-15H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 883903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).