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

C14H28N2O — CID 110197513

IUPAC[(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CN(C2CCCCC2)CC[C@@H]1CO
InChIInChI=1S/C14H28N2O/c1-15(2)14-10-16(9-8-12(14)11-17)13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyKYIULMUSSYMKGR-TZMCWYRMSA-N
MW240.39 g/mol
LogP1.56
Rot. Bonds3

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

[(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol (PubChem CID 110197513) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol
PubChem CID110197513
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CN(C2CCCCC2)CC[C@@H]1CO
InChIInChI=1S/C14H28N2O/c1-15(2)14-10-16(9-8-12(14)11-17)13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyKYIULMUSSYMKGR-TZMCWYRMSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol (CID 110197513) is [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol is CN(C)[C@@H]1CN(C2CCCCC2)CC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol?
The InChIKey is KYIULMUSSYMKGR-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15(2)14-10-16(9-8-12(14)11-17)13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol?
[(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol has a molecular weight of 240.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-cyclohexyl-3-(dimethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 110197513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).