[(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol

C15H30N2O — CID 110197510

IUPAC[(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CN(C2CCCCCC2)CC[C@@H]1CO
InChIInChI=1S/C15H30N2O/c1-16(2)15-11-17(10-9-13(15)12-18)14-7-5-3-4-6-8-14/h13-15,18H,3-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyOMRXRXGCEBZRTB-UKRRQHHQSA-N
MW254.42 g/mol
LogP1.95
Rot. Bonds3

About [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol

[(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol (PubChem CID 110197510) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol
PubChem CID110197510
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CN(C2CCCCCC2)CC[C@@H]1CO
InChIInChI=1S/C15H30N2O/c1-16(2)15-11-17(10-9-13(15)12-18)14-7-5-3-4-6-8-14/h13-15,18H,3-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyOMRXRXGCEBZRTB-UKRRQHHQSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol (CID 110197510) is [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol is CN(C)[C@@H]1CN(C2CCCCCC2)CC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol?
The InChIKey is OMRXRXGCEBZRTB-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H30N2O/c1-16(2)15-11-17(10-9-13(15)12-18)14-7-5-3-4-6-8-14/h13-15,18H,3-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol?
[(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol has a molecular weight of 254.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-cycloheptyl-3-(dimethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 110197510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).