[(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol

C8H16FNO — CID 170959092

IUPAC[(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
SMILESCN1CCC(F)[C@](C)(CO)C1
InChIInChI=1S/C8H16FNO/c1-8(6-11)5-10(2)4-3-7(8)9/h7,11H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyMCRHGKYILWVGKI-MQWKRIRWSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds1

About [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol

[(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol (PubChem CID 170959092) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
PubChem CID170959092
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
SMILESCN1CCC(F)[C@](C)(CO)C1
InChIInChI=1S/C8H16FNO/c1-8(6-11)5-10(2)4-3-7(8)9/h7,11H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyMCRHGKYILWVGKI-MQWKRIRWSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Isopropylpiperidin-3-Yl)Methanol
CID 23559485
(1-Methyl-3-piperidyl)methanol
CID 97998
(1,3-Dimethylpiperidin-3-yl)methanol
CID 44827703
3-Hydroxymethyl-N,N-dimethylpiperidinium
CID 194499
[1-(But-3-yn-1-yl)-3-methylpiperidin-3-yl]methanol
CID 145912935
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
(s)-(1-Methylpiperidin-3-yl)methanol
CID 920114
[(3S)-1-(cyclobutylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 124291752
[1-(Butan-2-yl)-4,4-difluoropiperidin-3-yl]methanol
CID 126778899
[1-Pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol
CID 19014398
(1-(2,2-Difluoroethyl)piperidin-3-yl)methanol
CID 62020438
(1-(2,2,2-Trifluoroethyl)piperidin-3-yl)methanol
CID 62022536

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol (CID 170959092) is [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol is CN1CCC(F)[C@](C)(CO)C1.
What is the InChIKey of [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol?
The InChIKey is MCRHGKYILWVGKI-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(6-11)5-10(2)4-3-7(8)9/h7,11H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol?
[(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 170959092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).