[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol

C13H18ClN3O — CID 89484385

IUPAC[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@@H]1C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-6-15-13(16-7-11)17-3-1-9(2-4-17)12-5-10(12)8-18/h6-7,9-10,12,18H,1-5,8H2/t10-,12+/m0/s1
InChIKeyFBCQJCLJBHTMFO-CMPLNLGQSA-N
MW267.76 g/mol
LogP1.97
Rot. Bonds3

About [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol

[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol (PubChem CID 89484385) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol
PubChem CID89484385
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@@H]1C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-6-15-13(16-7-11)17-3-1-9(2-4-17)12-5-10(12)8-18/h6-7,9-10,12,18H,1-5,8H2/t10-,12+/m0/s1
InChIKeyFBCQJCLJBHTMFO-CMPLNLGQSA-N
XLogP1.97
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol (CID 89484385) is [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol is OC[C@@H]1C[C@@H]1C1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol?
The InChIKey is FBCQJCLJBHTMFO-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-6-15-13(16-7-11)17-3-1-9(2-4-17)12-5-10(12)8-18/h6-7,9-10,12,18H,1-5,8H2/t10-,12+/m0/s1.
What are the key properties of [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol?
[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol has a molecular weight of 267.76 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol is sourced from PubChem (CID 89484385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).