(3S,4R)-3-methylpiperidin-4-ol;hydrochloride

C6H14ClNO — CID 69092530

IUPAC(3S,4R)-3-methylpiperidin-4-ol;hydrochloride
SMILESC[C@H]1CNCC[C@H]1O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-4-7-3-2-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyRRSULSNKSVBZRD-RIHPBJNCSA-N
MW151.64 g/mol
LogP0.40
Rot. Bonds

About (3S,4R)-3-methylpiperidin-4-ol;hydrochloride

(3S,4R)-3-methylpiperidin-4-ol;hydrochloride (PubChem CID 69092530) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (3S,4R)-3-methylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-3-methylpiperidin-4-ol;hydrochloride
PubChem CID69092530
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(3S,4R)-3-methylpiperidin-4-ol;hydrochloride
SMILESC[C@H]1CNCC[C@H]1O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-4-7-3-2-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyRRSULSNKSVBZRD-RIHPBJNCSA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
(3S,4S)-3-aminopiperidin-4-ol;dihydrochloride
CID 171370179
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
CID 126970561
3-methyl-4-propan-2-ylpiperidine
CID 58394699
(3S,4S)-4-(dimethylamino)piperidin-3-ol;hydrochloride
CID 156592163
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
4-hydroxypiperidine-3-carboxylic acid
CID 10261211
(3R)-3-aminopiperidin-4-ol
CID 52917019
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-5,8-diol
CID 117046492
CID 58592953
CID 58592953

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methylpiperidin-4-ol;hydrochloride?
The IUPAC name of (3S,4R)-3-methylpiperidin-4-ol;hydrochloride (CID 69092530) is (3S,4R)-3-methylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for (3S,4R)-3-methylpiperidin-4-ol;hydrochloride?
The canonical SMILES for (3S,4R)-3-methylpiperidin-4-ol;hydrochloride is C[C@H]1CNCC[C@H]1O.Cl.
What is the InChIKey of (3S,4R)-3-methylpiperidin-4-ol;hydrochloride?
The InChIKey is RRSULSNKSVBZRD-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-5-4-7-3-2-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m0./s1.
What are the key properties of (3S,4R)-3-methylpiperidin-4-ol;hydrochloride?
(3S,4R)-3-methylpiperidin-4-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 69092530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).