2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol

C17H28N2O — CID 63261055

IUPAC2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)C1CCCN(C)C1
InChIInChI=1S/C17H28N2O/c1-14(16-9-6-10-19(2)12-16)18-17(13-20)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3
InChIKeyMMAFUVCTBSFBCB-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.91
Rot. Bonds6

About 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol

2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 63261055) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
PubChem CID63261055
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
SMILESCC(NC(CO)Cc1ccccc1)C1CCCN(C)C1
InChIInChI=1S/C17H28N2O/c1-14(16-9-6-10-19(2)12-16)18-17(13-20)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3
InChIKeyMMAFUVCTBSFBCB-UHFFFAOYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308727
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol (CID 63261055) is 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol is CC(NC(CO)Cc1ccccc1)C1CCCN(C)C1.
What is the InChIKey of 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is MMAFUVCTBSFBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(16-9-6-10-19(2)12-16)18-17(13-20)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,20H,6,9-13H2,1-2H3.
What are the key properties of 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol?
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63261055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).