[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol

C14H25N3O — CID 99939521

IUPAC[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@]1(CO)CCCN(Cc2cncn2C)C1
InChIInChI=1S/C14H25N3O/c1-3-5-14(11-18)6-4-7-17(10-14)9-13-8-15-12-16(13)2/h8,12,18H,3-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyRUNUIOZCWDRRKH-AWEZNQCLSA-N
MW251.37 g/mol
LogP1.79
Rot. Bonds5

About [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol

[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 99939521) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID99939521
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@]1(CO)CCCN(Cc2cncn2C)C1
InChIInChI=1S/C14H25N3O/c1-3-5-14(11-18)6-4-7-17(10-14)9-13-8-15-12-16(13)2/h8,12,18H,3-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyRUNUIOZCWDRRKH-AWEZNQCLSA-N
XLogP1.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol (CID 99939521) is [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol is CCC[C@]1(CO)CCCN(Cc2cncn2C)C1.
What is the InChIKey of [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is RUNUIOZCWDRRKH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-5-14(11-18)6-4-7-17(10-14)9-13-8-15-12-16(13)2/h8,12,18H,3-7,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol?
[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 99939521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).