1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol

C17H28N2O2 — CID 111106340

IUPAC1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
SMILESCCN1CCC(N(C)CC(O)COc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2/c1-3-19-11-9-15(10-12-19)18(2)13-16(20)14-21-17-7-5-4-6-8-17/h4-8,15-16,20H,3,9-14H2,1-2H3
InChIKeyQUNPBRZQEBRZOF-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.84
Rot. Bonds7

About 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol

1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol (PubChem CID 111106340) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
PubChem CID111106340
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
SMILESCCN1CCC(N(C)CC(O)COc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2/c1-3-19-11-9-15(10-12-19)18(2)13-16(20)14-21-17-7-5-4-6-8-17/h4-8,15-16,20H,3,9-14H2,1-2H3
InChIKeyQUNPBRZQEBRZOF-UHFFFAOYSA-N
XLogP1.84
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211246
1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4300673
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95334988

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol (CID 111106340) is 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol is CCN1CCC(N(C)CC(O)COc2ccccc2)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol?
The InChIKey is QUNPBRZQEBRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-19-11-9-15(10-12-19)18(2)13-16(20)14-21-17-7-5-4-6-8-17/h4-8,15-16,20H,3,9-14H2,1-2H3.
What are the key properties of 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol?
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 111106340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).