(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol

C15H24N2O — CID 129427984

IUPAC(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)C[C@@H]1CCN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H24N2O/c1-16(2)11-14-8-9-17(12-15(14)18)10-13-6-4-3-5-7-13/h3-7,14-15,18H,8-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyOHDTZRJUOWDDLP-LSDHHAIUSA-N
MW248.37 g/mol
LogP1.43
Rot. Bonds4

About (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol

(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol (PubChem CID 129427984) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
PubChem CID129427984
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)C[C@@H]1CCN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H24N2O/c1-16(2)11-14-8-9-17(12-15(14)18)10-13-6-4-3-5-7-13/h3-7,14-15,18H,8-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyOHDTZRJUOWDDLP-LSDHHAIUSA-N
XLogP1.43
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol (CID 129427984) is (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol is CN(C)C[C@@H]1CCN(Cc2ccccc2)C[C@H]1O.
What is the InChIKey of (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol?
The InChIKey is OHDTZRJUOWDDLP-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16(2)11-14-8-9-17(12-15(14)18)10-13-6-4-3-5-7-13/h3-7,14-15,18H,8-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol?
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol has a molecular weight of 248.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 129427984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).