1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine

C15H25N3 — CID 28716728

IUPAC1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
SMILESCC(C)N1CCC(N[C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C15H25N3/c1-12(2)18-9-6-15(7-10-18)17-13(3)14-5-4-8-16-11-14/h4-5,8,11-13,15,17H,6-7,9-10H2,1-3H3/t13-/m0/s1
InChIKeyZSUPGGWHMQBHOL-ZDUSSCGKSA-N
MW247.39 g/mol
LogP2.61
Rot. Bonds4

About 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine

1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine (PubChem CID 28716728) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
PubChem CID28716728
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
SMILESCC(C)N1CCC(N[C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C15H25N3/c1-12(2)18-9-6-15(7-10-18)17-13(3)14-5-4-8-16-11-14/h4-5,8,11-13,15,17H,6-7,9-10H2,1-3H3/t13-/m0/s1
InChIKeyZSUPGGWHMQBHOL-ZDUSSCGKSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
1-pyridin-4-yl-N-(1-pyridin-3-ylethyl)piperidin-4-amine
CID 43343785
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine
CID 81393237

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine (CID 28716728) is 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine is CC(C)N1CCC(N[C@@H](C)c2cccnc2)CC1.
What is the InChIKey of 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine?
The InChIKey is ZSUPGGWHMQBHOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)18-9-6-15(7-10-18)17-13(3)14-5-4-8-16-11-14/h4-5,8,11-13,15,17H,6-7,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine?
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine is sourced from PubChem (CID 28716728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).