1-benzyl-3-methylpiperidin-3-ol

C13H19NO — CID 15283107

IUPAC1-benzyl-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-13(15)8-5-9-14(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3
InChIKeyXOOUIRSDEYKUGM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds2

About 1-benzyl-3-methylpiperidin-3-ol

1-benzyl-3-methylpiperidin-3-ol (PubChem CID 15283107) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-benzyl-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-methylpiperidin-3-ol
PubChem CID15283107
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-benzyl-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-13(15)8-5-9-14(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3
InChIKeyXOOUIRSDEYKUGM-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
3-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]benzonitrile
CID 113343968
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242
2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
CID 105352110

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylpiperidin-3-ol?
The IUPAC name of 1-benzyl-3-methylpiperidin-3-ol (CID 15283107) is 1-benzyl-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-methylpiperidin-3-ol?
The canonical SMILES for 1-benzyl-3-methylpiperidin-3-ol is CC1(O)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-methylpiperidin-3-ol?
The InChIKey is XOOUIRSDEYKUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(15)8-5-9-14(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3.
What are the key properties of 1-benzyl-3-methylpiperidin-3-ol?
1-benzyl-3-methylpiperidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylpiperidin-3-ol is sourced from PubChem (CID 15283107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).