N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine

C18H28N2 — CID 79983628

IUPACN-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1ccccc1C1CC1)C1CCCNC1
InChIInChI=1S/C18H28N2/c1-2-12-20(17-7-5-11-19-13-17)14-16-6-3-4-8-18(16)15-9-10-15/h3-4,6,8,15,17,19H,2,5,7,9-14H2,1H3
InChIKeyYGMOEFMJGOMMCW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.53
Rot. Bonds6

About N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine

N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 79983628) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
PubChem CID79983628
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1ccccc1C1CC1)C1CCCNC1
InChIInChI=1S/C18H28N2/c1-2-12-20(17-7-5-11-19-13-17)14-16-6-3-4-8-18(16)15-9-10-15/h3-4,6,8,15,17,19H,2,5,7,9-14H2,1H3
InChIKeyYGMOEFMJGOMMCW-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
CID 63637073
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-propyl-N-(quinolin-2-ylmethyl)piperidin-3-amine
CID 63638032
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637511
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
CID 79240498

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine (CID 79983628) is N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1ccccc1C1CC1)C1CCCNC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is YGMOEFMJGOMMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-12-20(17-7-5-11-19-13-17)14-16-6-3-4-8-18(16)15-9-10-15/h3-4,6,8,15,17,19H,2,5,7,9-14H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine?
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 79983628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).