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

C8H18N2O — CID 86820533

IUPAC[(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CNCC[C@@H]1CO
InChIInChI=1S/C8H18N2O/c1-10(2)8-5-9-4-3-7(8)6-11/h7-9,11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyLWTCDJXTBIYCJP-HTQZYQBOSA-N
MW158.25 g/mol
LogP-0.48
Rot. Bonds2

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

[(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol (PubChem CID 86820533) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol
PubChem CID86820533
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name[(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CNCC[C@@H]1CO
InChIInChI=1S/C8H18N2O/c1-10(2)8-5-9-4-3-7(8)6-11/h7-9,11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyLWTCDJXTBIYCJP-HTQZYQBOSA-N
XLogP-0.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol (CID 86820533) is [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol is CN(C)[C@@H]1CNCC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol?
The InChIKey is LWTCDJXTBIYCJP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(2)8-5-9-4-3-7(8)6-11/h7-9,11H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol?
[(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol has a molecular weight of 158.25 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(dimethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 86820533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).