[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol

C14H25N3O — CID 97120592

IUPAC[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@@]1(CO)CCCN(CCn2ccnc2)C1
InChIInChI=1S/C14H25N3O/c1-2-4-14(12-18)5-3-7-16(11-14)9-10-17-8-6-15-13-17/h6,8,13,18H,2-5,7,9-12H2,1H3/t14-/m1/s1
InChIKeyDHXBJQYCBZNXTG-CQSZACIVSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds6

About [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol

[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol (PubChem CID 97120592) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
PubChem CID97120592
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@@]1(CO)CCCN(CCn2ccnc2)C1
InChIInChI=1S/C14H25N3O/c1-2-4-14(12-18)5-3-7-16(11-14)9-10-17-8-6-15-13-17/h6,8,13,18H,2-5,7,9-12H2,1H3/t14-/m1/s1
InChIKeyDHXBJQYCBZNXTG-CQSZACIVSA-N
XLogP1.76
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]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 [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol (CID 97120592) is [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol is CCC[C@@]1(CO)CCCN(CCn2ccnc2)C1.
What is the InChIKey of [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol?
The InChIKey is DHXBJQYCBZNXTG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-4-14(12-18)5-3-7-16(11-14)9-10-17-8-6-15-13-17/h6,8,13,18H,2-5,7,9-12H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol?
[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 97120592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).