3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol

C16H26N2O — CID 22712052

IUPAC3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
SMILESCN(CCCO)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-17(10-5-13-19)16-8-11-18(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16,19H,5,8-14H2,1H3
InChIKeyGWZXADJLASFFLZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.97
Rot. Bonds6

About 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol

3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol (PubChem CID 22712052) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
PubChem CID22712052
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
SMILESCN(CCCO)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-17(10-5-13-19)16-8-11-18(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16,19H,5,8-14H2,1H3
InChIKeyGWZXADJLASFFLZ-UHFFFAOYSA-N
XLogP1.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381460
3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381510
4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol
CID 111436462
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
1-(1-benzylpiperidin-4-yl)-3-[3-[cyclohexyl(methyl)amino]propyl]-2-methylguanidine
CID 110985712
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol (CID 22712052) is 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol is CN(CCCO)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is GWZXADJLASFFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17(10-5-13-19)16-8-11-18(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16,19H,5,8-14H2,1H3.
What are the key properties of 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol?
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 22712052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).