N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine

C18H28N2 — CID 83997250

IUPACN-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CC(C)CC(NCC3CCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-14-6-8-18(9-7-14)20-12-15(2)10-17(13-20)19-11-16-4-3-5-16/h6-9,15-17,19H,3-5,10-13H2,1-2H3
InChIKeySZQVACCRYDBEQY-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds4

About N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine

N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine (PubChem CID 83997250) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
PubChem CID83997250
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CC(C)CC(NCC3CCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-14-6-8-18(9-7-14)20-12-15(2)10-17(13-20)19-11-16-4-3-5-16/h6-9,15-17,19H,3-5,10-13H2,1-2H3
InChIKeySZQVACCRYDBEQY-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83998607
N-(cyclobutylmethyl)-1-(2,3-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997260
N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83996532
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83997030
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
1-cyclobutyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997328
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine (CID 83997250) is N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine is Cc1ccc(N2CC(C)CC(NCC3CCC3)C2)cc1.
What is the InChIKey of N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine?
The InChIKey is SZQVACCRYDBEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-6-8-18(9-7-14)20-12-15(2)10-17(13-20)19-11-16-4-3-5-16/h6-9,15-17,19H,3-5,10-13H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine?
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 83997250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).