[(3R,4S)-4-methylpiperidin-3-yl]methanol

C7H15NO — CID 124538044

IUPAC[(3R,4S)-4-methylpiperidin-3-yl]methanol
SMILESC[C@H]1CCNC[C@@H]1CO
InChIInChI=1S/C7H15NO/c1-6-2-3-8-4-7(6)5-9/h6-9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyXKQYEHVFBWMPDC-NKWVEPMBSA-N
MW129.20 g/mol
LogP0.22
Rot. Bonds1

About [(3R,4S)-4-methylpiperidin-3-yl]methanol

[(3R,4S)-4-methylpiperidin-3-yl]methanol (PubChem CID 124538044) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is [(3R,4S)-4-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-methylpiperidin-3-yl]methanol
PubChem CID124538044
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name[(3R,4S)-4-methylpiperidin-3-yl]methanol
SMILESC[C@H]1CCNC[C@@H]1CO
InChIInChI=1S/C7H15NO/c1-6-2-3-8-4-7(6)5-9/h6-9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyXKQYEHVFBWMPDC-NKWVEPMBSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpyrrolidin-3-yl)methanol
CID 23396990
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
3-(2,2-dimethylpropyl)-4-methylpiperidine
CID 164775462
3-(cyclobutylmethyl)-4-methylpiperidine
CID 106779274
1,1,1-trifluoro-3-(4-methylpiperidin-3-yl)propan-2-one
CID 147887564
3-(ethoxymethyl)-4-methylpiperidine
CID 106780348
4,5-dimethylazepane
CID 83679426
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
3-(3-ethylsulfonylpropyl)-4-methylpiperidine
CID 106779394
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid
CID 154997614
N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 114955817

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-methylpiperidin-3-yl]methanol (CID 124538044) is [(3R,4S)-4-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-methylpiperidin-3-yl]methanol is C[C@H]1CCNC[C@@H]1CO.
What is the InChIKey of [(3R,4S)-4-methylpiperidin-3-yl]methanol?
The InChIKey is XKQYEHVFBWMPDC-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-2-3-8-4-7(6)5-9/h6-9H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of [(3R,4S)-4-methylpiperidin-3-yl]methanol?
[(3R,4S)-4-methylpiperidin-3-yl]methanol has a molecular weight of 129.20 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 124538044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).