4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol

C15H23N3O — CID 141093156

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol
SMILESN[C@@H]1CCN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C15H23N3O/c16-13-5-9-18(11-13)14-3-6-15(19,7-4-14)12-2-1-8-17-10-12/h1-2,8,10,13-14,19H,3-7,9,11,16H2/t13-,14?,15?/m1/s1
InChIKeyJNKLJLJHKMKOGG-WLYUNCDWSA-N
MW261.37 g/mol
LogP1.24
Rot. Bonds2

About 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol

4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol (PubChem CID 141093156) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol
PubChem CID141093156
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol
SMILESN[C@@H]1CCN(C2CCC(O)(c3cccnc3)CC2)C1
InChIInChI=1S/C15H23N3O/c16-13-5-9-18(11-13)14-3-6-15(19,7-4-14)12-2-1-8-17-10-12/h1-2,8,10,13-14,19H,3-7,9,11,16H2/t13-,14?,15?/m1/s1
InChIKeyJNKLJLJHKMKOGG-WLYUNCDWSA-N
XLogP1.24
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol (CID 141093156) is 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol is N[C@@H]1CCN(C2CCC(O)(c3cccnc3)CC2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol?
The InChIKey is JNKLJLJHKMKOGG-WLYUNCDWSA-N. The full InChI is InChI=1S/C15H23N3O/c16-13-5-9-18(11-13)14-3-6-15(19,7-4-14)12-2-1-8-17-10-12/h1-2,8,10,13-14,19H,3-7,9,11,16H2/t13-,14?,15?/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol?
4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol is sourced from PubChem (CID 141093156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).