(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol

C13H21N3O — CID 113260445

IUPAC(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11(10-17)15-12-5-8-16(9-6-12)13-4-2-3-7-14-13/h2-4,7,11-12,15,17H,5-6,8-10H2,1H3/t11-/m1/s1
InChIKeyVBQGFAMFQOTPSQ-LLVKDONJSA-N
MW235.33 g/mol
LogP1.02
Rot. Bonds4

About (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol

(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 113260445) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
PubChem CID113260445
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11(10-17)15-12-5-8-16(9-6-12)13-4-2-3-7-14-13/h2-4,7,11-12,15,17H,5-6,8-10H2,1H3/t11-/m1/s1
InChIKeyVBQGFAMFQOTPSQ-LLVKDONJSA-N
XLogP1.02
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652
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-hex-5-yn-3-yl-1-pyridin-2-ylpiperidin-4-amine
CID 115723624
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
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
CID 143220536

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol (CID 113260445) is (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol is C[C@H](CO)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is VBQGFAMFQOTPSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(10-17)15-12-5-8-16(9-6-12)13-4-2-3-7-14-13/h2-4,7,11-12,15,17H,5-6,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol?
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 113260445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).