(3S,4S)-3-(2-methylpropyl)piperidin-4-ol

C9H19NO — CID 93495959

IUPAC(3S,4S)-3-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)C[C@H]1CNCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)5-8-6-10-4-3-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyXTYHBMKVPVMTNH-IUCAKERBSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds2

About (3S,4S)-3-(2-methylpropyl)piperidin-4-ol

(3S,4S)-3-(2-methylpropyl)piperidin-4-ol (PubChem CID 93495959) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S,4S)-3-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(2-methylpropyl)piperidin-4-ol
PubChem CID93495959
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S,4S)-3-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)C[C@H]1CNCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)5-8-6-10-4-3-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyXTYHBMKVPVMTNH-IUCAKERBSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-(2-methylpropyl)piperidin-4-ol
CID 93495960
ethane;3-(2-methylpropyl)piperidin-4-ol
CID 143575873
3-(3-hydroxy-2-methylpropyl)piperidin-4-ol
CID 114451948
3-(2-methoxypropyl)piperidin-4-ol
CID 114451812
3-(2-hydroxy-3-methoxypropyl)piperidin-4-ol
CID 114451767
[3-(2-methylpropyl)piperidin-4-yl]methanamine
CID 84765835
(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129393768
4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
CID 79978067
4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
CID 114055081
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
CID 79320999
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114451905

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-3-(2-methylpropyl)piperidin-4-ol (CID 93495959) is (3S,4S)-3-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(2-methylpropyl)piperidin-4-ol is CC(C)C[C@H]1CNCC[C@@H]1O.
What is the InChIKey of (3S,4S)-3-(2-methylpropyl)piperidin-4-ol?
The InChIKey is XTYHBMKVPVMTNH-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)5-8-6-10-4-3-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-3-(2-methylpropyl)piperidin-4-ol?
(3S,4S)-3-(2-methylpropyl)piperidin-4-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 93495959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).