1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol

C17H28N2O — CID 110904840

IUPAC1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
SMILESCC1CCN(CC(O)CNC(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14-8-10-19(11-9-14)13-17(20)12-18-15(2)16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3
InChIKeyCSQHFMCTYFXCLC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.43
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol

1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol (PubChem CID 110904840) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
PubChem CID110904840
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
SMILESCC1CCN(CC(O)CNC(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14-8-10-19(11-9-14)13-17(20)12-18-15(2)16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3
InChIKeyCSQHFMCTYFXCLC-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905094
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904967
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904891
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol (CID 110904840) is 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol is CC1CCN(CC(O)CNC(C)c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol?
The InChIKey is CSQHFMCTYFXCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-8-10-19(11-9-14)13-17(20)12-18-15(2)16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol is sourced from PubChem (CID 110904840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).