(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol

C12H23NO — CID 134195557

IUPAC(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol
SMILESCC(C)[C@@H]1C[C@H](O)CN(CC2CC2)C1
InChIInChI=1S/C12H23NO/c1-9(2)11-5-12(14)8-13(7-11)6-10-3-4-10/h9-12,14H,3-8H2,1-2H3/t11-,12+/m1/s1
InChIKeyXTPQKDWWZBTGHS-NEPJUHHUSA-N
MW197.32 g/mol
LogP1.74
Rot. Bonds3

About (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol

(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol (PubChem CID 134195557) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol
PubChem CID134195557
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol
SMILESCC(C)[C@@H]1C[C@H](O)CN(CC2CC2)C1
InChIInChI=1S/C12H23NO/c1-9(2)11-5-12(14)8-13(7-11)6-10-3-4-10/h9-12,14H,3-8H2,1-2H3/t11-,12+/m1/s1
InChIKeyXTPQKDWWZBTGHS-NEPJUHHUSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol
CID 138739789
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
1-(cyclopropylmethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 102568695
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 170953584
2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
CID 155068611
(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine
CID 174261411
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol?
The IUPAC name of (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol (CID 134195557) is (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol?
The canonical SMILES for (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol is CC(C)[C@@H]1C[C@H](O)CN(CC2CC2)C1.
What is the InChIKey of (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol?
The InChIKey is XTPQKDWWZBTGHS-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)11-5-12(14)8-13(7-11)6-10-3-4-10/h9-12,14H,3-8H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol?
(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol has a molecular weight of 197.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 134195557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).