N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine

C20H25N3 — CID 119164879

IUPACN-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESc1ccc(C(NC2CCN(c3ccccn3)CC2)C2CC2)cc1
InChIInChI=1S/C20H25N3/c1-2-6-16(7-3-1)20(17-9-10-17)22-18-11-14-23(15-12-18)19-8-4-5-13-21-19/h1-8,13,17-18,20,22H,9-12,14-15H2
InChIKeyWXELLJRLLJSPOV-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.79
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine

N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 119164879) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID119164879
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESc1ccc(C(NC2CCN(c3ccccn3)CC2)C2CC2)cc1
InChIInChI=1S/C20H25N3/c1-2-6-16(7-3-1)20(17-9-10-17)22-18-11-14-23(15-12-18)19-8-4-5-13-21-19/h1-8,13,17-18,20,22H,9-12,14-15H2
InChIKeyWXELLJRLLJSPOV-UHFFFAOYSA-N
XLogP3.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 129338337
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652
N-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine
CID 115723624
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97323181
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 71336050

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine (CID 119164879) is N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine is c1ccc(C(NC2CCN(c3ccccn3)CC2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is WXELLJRLLJSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-6-16(7-3-1)20(17-9-10-17)22-18-11-14-23(15-12-18)19-8-4-5-13-21-19/h1-8,13,17-18,20,22H,9-12,14-15H2.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 119164879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).