1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine

C17H26N2 — CID 119932504

IUPAC1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCNCC2)C2CCC2)cc1
InChIInChI=1S/C17H26N2/c1-2-5-15(6-3-1)17(16-7-4-8-16)19-13-14-9-11-18-12-10-14/h1-3,5-6,14,16-19H,4,7-13H2
InChIKeyPBENUGWTICCFDE-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine

1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine (PubChem CID 119932504) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
PubChem CID119932504
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCNCC2)C2CCC2)cc1
InChIInChI=1S/C17H26N2/c1-2-5-15(6-3-1)17(16-7-4-8-16)19-13-14-9-11-18-12-10-14/h1-3,5-6,14,16-19H,4,7-13H2
InChIKeyPBENUGWTICCFDE-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
CID 119932506
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
CID 66005834
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982236
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine?
The IUPAC name of 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine (CID 119932504) is 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine?
The canonical SMILES for 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine is c1ccc(C(NCC2CCNCC2)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine?
The InChIKey is PBENUGWTICCFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-5-15(6-3-1)17(16-7-4-8-16)19-13-14-9-11-18-12-10-14/h1-3,5-6,14,16-19H,4,7-13H2.
What are the key properties of 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine?
1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine is sourced from PubChem (CID 119932504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).