N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine

C14H23N3 — CID 62592659

IUPACN-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H23N3/c1-12(2)16-11-13-6-9-17(10-7-13)14-5-3-4-8-15-14/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3
InChIKeyAVOFSDAQCNMZJC-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.30
Rot. Bonds4

About N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine

N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 62592659) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID62592659
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H23N3/c1-12(2)16-11-13-6-9-17(10-7-13)14-5-3-4-8-15-14/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3
InChIKeyAVOFSDAQCNMZJC-UHFFFAOYSA-N
XLogP2.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
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-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 62592830
N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 62573579
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652
N-(4-ethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675378
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine (CID 62592659) is N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine is CC(C)NCC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is AVOFSDAQCNMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(2)16-11-13-6-9-17(10-7-13)14-5-3-4-8-15-14/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3.
What are the key properties of N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine?
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 62592659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).