(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol

C12H19N3O — CID 59864499

IUPAC(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol
SMILESN[C@H](CN1CCCC1)[C@H](O)c1ccncc1
InChIInChI=1S/C12H19N3O/c13-11(9-15-7-1-2-8-15)12(16)10-3-5-14-6-4-10/h3-6,11-12,16H,1-2,7-9,13H2/t11-,12-/m1/s1
InChIKeyIMZCCWFKFDCYIV-VXGBXAGGSA-N
MW221.30 g/mol
LogP0.54
Rot. Bonds4

About (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol

(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 59864499) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID59864499
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol
SMILESN[C@H](CN1CCCC1)[C@H](O)c1ccncc1
InChIInChI=1S/C12H19N3O/c13-11(9-15-7-1-2-8-15)12(16)10-3-5-14-6-4-10/h3-6,11-12,16H,1-2,7-9,13H2/t11-,12-/m1/s1
InChIKeyIMZCCWFKFDCYIV-VXGBXAGGSA-N
XLogP0.54
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 163771955
(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 122579136
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70826390
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 20747757
(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70230035
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
CID 158733904
(1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol
CID 134288494
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2,3,4-trihydroxybutanoic acid
CID 160911365
(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
CID 143270082
(2R,3S)-2-[amino(hexyl)amino]-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
CID 118671114
(2R)-2-amino-3-(azetidin-1-yl)-1-(3-chloro-4,5-dimethoxyphenyl)propan-1-ol
CID 144811664

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol (CID 59864499) is (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol is N[C@H](CN1CCCC1)[C@H](O)c1ccncc1.
What is the InChIKey of (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is IMZCCWFKFDCYIV-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H19N3O/c13-11(9-15-7-1-2-8-15)12(16)10-3-5-14-6-4-10/h3-6,11-12,16H,1-2,7-9,13H2/t11-,12-/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol?
(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 59864499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).