(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride

C7H17ClN2O — CID 156592163

IUPAC(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride
SMILESCN(C)[C@H]1CCNC[C@@H]1O.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-9(2)6-3-4-8-5-7(6)10;/h6-8,10H,3-5H2,1-2H3;1H/t6-,7-;/m0./s1
InChIKeyRNPCSBPVXOFDRL-LEUCUCNGSA-N
MW180.68 g/mol
LogP-0.31
Rot. Bonds1

About (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride

(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride (PubChem CID 156592163) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride
PubChem CID156592163
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride
SMILESCN(C)[C@H]1CCNC[C@@H]1O.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-9(2)6-3-4-8-5-7(6)10;/h6-8,10H,3-5H2,1-2H3;1H/t6-,7-;/m0./s1
InChIKeyRNPCSBPVXOFDRL-LEUCUCNGSA-N
XLogP-0.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid
CID 67307566
(3S,4R)-3-methylpiperidin-4-ol;hydrochloride
CID 69092530
(3R,4R)-4-aminopiperidin-3-ol;dihydrochloride
CID 154804814
N,N-dimethyl-4-propan-2-ylpiperidin-3-amine
CID 130002958
(3S,4S)-4-ethylpiperidin-3-ol
CID 96732602
4-aminopiperidin-3-ol
CID 54373786
3-(2,4-dimethylphenyl)-N,N-dimethylpiperidin-4-amine
CID 117000283
(3S,4S)-3-aminopiperidin-4-ol;dihydrochloride
CID 171370179
(1S,8R)-8-(dimethylamino)cyclooct-4-en-1-ol
CID 124665894

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride?
The IUPAC name of (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride (CID 156592163) is (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride?
The canonical SMILES for (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride is CN(C)[C@H]1CCNC[C@@H]1O.Cl.
What is the InChIKey of (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride?
The InChIKey is RNPCSBPVXOFDRL-LEUCUCNGSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-9(2)6-3-4-8-5-7(6)10;/h6-8,10H,3-5H2,1-2H3;1H/t6-,7-;/m0./s1.
What are the key properties of (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride?
(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride is sourced from PubChem (CID 156592163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).