2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine

C13H22N4 — CID 103387990

IUPAC2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
SMILESCC(CN)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H22N4/c1-11(10-14)16-12-5-8-17(9-6-12)13-4-2-3-7-15-13/h2-4,7,11-12,16H,5-6,8-10,14H2,1H3
InChIKeyUXBMLUGCKQOKKL-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.99
Rot. Bonds4

About 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine

2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine (PubChem CID 103387990) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
PubChem CID103387990
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
SMILESCC(CN)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H22N4/c1-11(10-14)16-12-5-8-17(9-6-12)13-4-2-3-7-15-13/h2-4,7,11-12,16H,5-6,8-10,14H2,1H3
InChIKeyUXBMLUGCKQOKKL-UHFFFAOYSA-N
XLogP0.99
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
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
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119164879
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine (CID 103387990) is 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine is CC(CN)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine?
The InChIKey is UXBMLUGCKQOKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(10-14)16-12-5-8-17(9-6-12)13-4-2-3-7-15-13/h2-4,7,11-12,16H,5-6,8-10,14H2,1H3.
What are the key properties of 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine?
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 103387990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).