[(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol

C15H29FN2O — CID 134429520

IUPAC[(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol
SMILESCC(C)N[C@H]1CCCC[C@@H]1N1CCC[C@](F)(CO)C1
InChIInChI=1S/C15H29FN2O/c1-12(2)17-13-6-3-4-7-14(13)18-9-5-8-15(16,10-18)11-19/h12-14,17,19H,3-11H2,1-2H3/t13-,14-,15+/m0/s1
InChIKeyWKECKQDZFAOLBS-SOUVJXGZSA-N
MW272.41 g/mol
LogP2.09
Rot. Bonds4

About [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol

[(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol (PubChem CID 134429520) has the molecular formula C15H29FN2O and a molecular weight of 272.41 g/mol. Its IUPAC name is [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol
PubChem CID134429520
Molecular FormulaC15H29FN2O
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name[(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol
SMILESCC(C)N[C@H]1CCCC[C@@H]1N1CCC[C@](F)(CO)C1
InChIInChI=1S/C15H29FN2O/c1-12(2)17-13-6-3-4-7-14(13)18-9-5-8-15(16,10-18)11-19/h12-14,17,19H,3-11H2,1-2H3/t13-,14-,15+/m0/s1
InChIKeyWKECKQDZFAOLBS-SOUVJXGZSA-N
XLogP2.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol (CID 134429520) is [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol is CC(C)N[C@H]1CCCC[C@@H]1N1CCC[C@](F)(CO)C1.
What is the InChIKey of [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol?
The InChIKey is WKECKQDZFAOLBS-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H29FN2O/c1-12(2)17-13-6-3-4-7-14(13)18-9-5-8-15(16,10-18)11-19/h12-14,17,19H,3-11H2,1-2H3/t13-,14-,15+/m0/s1.
What are the key properties of [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol?
[(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol has a molecular weight of 272.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoro-1-[(1S,2S)-2-(propan-2-ylamino)cyclohexyl]piperidin-3-yl]methanol is sourced from PubChem (CID 134429520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).