2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol

C18H30N2O — CID 81399779

IUPAC2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H30N2O/c1-3-18(2,15-21)14-19-17-10-7-11-20(13-17)12-16-8-5-4-6-9-16/h4-6,8-9,17,19,21H,3,7,10-15H2,1-2H3
InChIKeyUIKUMYDZJXOEDD-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.65
Rot. Bonds7

About 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol

2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 81399779) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol
PubChem CID81399779
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H30N2O/c1-3-18(2,15-21)14-19-17-10-7-11-20(13-17)12-16-8-5-4-6-9-16/h4-6,8-9,17,19,21H,3,7,10-15H2,1-2H3
InChIKeyUIKUMYDZJXOEDD-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol
CID 45216821
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
CID 66044031
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
CID 103709849
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol (CID 81399779) is 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is UIKUMYDZJXOEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-18(2,15-21)14-19-17-10-7-11-20(13-17)12-16-8-5-4-6-9-16/h4-6,8-9,17,19,21H,3,7,10-15H2,1-2H3.
What are the key properties of 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol?
2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81399779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).