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

C16H26N2O — CID 65032022

IUPAC3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-14(13-19)10-17-16-8-5-9-18(12-16)11-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3
InChIKeyHVOMCPADZVYMFY-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.87
Rot. Bonds6

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

3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol (PubChem CID 65032022) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
PubChem CID65032022
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-14(13-19)10-17-16-8-5-9-18(12-16)11-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3
InChIKeyHVOMCPADZVYMFY-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine
CID 63983866
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
CID 64593174
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol (CID 65032022) is 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol is CC(CO)CNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol?
The InChIKey is HVOMCPADZVYMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(13-19)10-17-16-8-5-9-18(12-16)11-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3.
What are the key properties of 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol?
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 65032022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).