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

C8H17NO — CID 59049778

IUPAC[(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol
SMILESC[C@@H]1CN(C)CC[C@@H]1CO
InChIInChI=1S/C8H17NO/c1-7-5-9(2)4-3-8(7)6-10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyDYFKIAKFHTWSOI-HTQZYQBOSA-N
MW143.23 g/mol
LogP0.57
Rot. Bonds1

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

[(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol (PubChem CID 59049778) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol
PubChem CID59049778
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol
SMILESC[C@@H]1CN(C)CC[C@@H]1CO
InChIInChI=1S/C8H17NO/c1-7-5-9(2)4-3-8(7)6-10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyDYFKIAKFHTWSOI-HTQZYQBOSA-N
XLogP0.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol (CID 59049778) is [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol is C[C@@H]1CN(C)CC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol?
The InChIKey is DYFKIAKFHTWSOI-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-5-9(2)4-3-8(7)6-10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol?
[(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1,3-dimethylpiperidin-4-yl]methanol is sourced from PubChem (CID 59049778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).