4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol

C16H23ClN2O — CID 141093177

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol
SMILESN[C@@H]1CCN(C2CCC(O)(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H23ClN2O/c17-13-3-1-12(2-4-13)16(20)8-5-15(6-9-16)19-10-7-14(18)11-19/h1-4,14-15,20H,5-11,18H2/t14-,15?,16?/m1/s1
InChIKeyRPLYPVOHTDXHMF-QQFBHYJXSA-N
MW294.83 g/mol
LogP2.50
Rot. Bonds2

About 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol

4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol (PubChem CID 141093177) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol
PubChem CID141093177
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol
SMILESN[C@@H]1CCN(C2CCC(O)(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H23ClN2O/c17-13-3-1-12(2-4-13)16(20)8-5-15(6-9-16)19-10-7-14(18)11-19/h1-4,14-15,20H,5-11,18H2/t14-,15?,16?/m1/s1
InChIKeyRPLYPVOHTDXHMF-QQFBHYJXSA-N
XLogP2.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol (CID 141093177) is 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol is N[C@@H]1CCN(C2CCC(O)(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol?
The InChIKey is RPLYPVOHTDXHMF-QQFBHYJXSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-13-3-1-12(2-4-13)16(20)8-5-15(6-9-16)19-10-7-14(18)11-19/h1-4,14-15,20H,5-11,18H2/t14-,15?,16?/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol?
4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol has a molecular weight of 294.83 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-(4-chlorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 141093177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).