[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol

C8H17NO — CID 176666690

IUPAC[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
SMILESC[C@@H]1CNC[C@H](C)C1CO
InChIInChI=1S/C8H17NO/c1-6-3-9-4-7(2)8(6)5-10/h6-10H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyRQPCZZRABRDHKI-DHBOJHSNSA-N
MW143.23 g/mol
LogP0.47
Rot. Bonds1

About [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol

[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol (PubChem CID 176666690) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
PubChem CID176666690
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
SMILESC[C@@H]1CNC[C@H](C)C1CO
InChIInChI=1S/C8H17NO/c1-6-3-9-4-7(2)8(6)5-10/h6-10H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyRQPCZZRABRDHKI-DHBOJHSNSA-N
XLogP0.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol (CID 176666690) is [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol is C[C@@H]1CNC[C@H](C)C1CO.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol?
The InChIKey is RQPCZZRABRDHKI-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-3-9-4-7(2)8(6)5-10/h6-10H,3-5H2,1-2H3/t6-,7+,8?.
What are the key properties of [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol?
[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol is sourced from PubChem (CID 176666690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).