1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol

C17H28N2O2 — CID 60910129

IUPAC1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(15-6-4-3-5-7-15)21-13-17(20)12-18-16-8-10-19(2)11-9-16/h3-7,14,16-18,20H,8-13H2,1-2H3
InChIKeyGKVYYGUNAGNQGN-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.81
Rot. Bonds7

About 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol

1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 60910129) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID60910129
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(15-6-4-3-5-7-15)21-13-17(20)12-18-16-8-10-19(2)11-9-16/h3-7,14,16-18,20H,8-13H2,1-2H3
InChIKeyGKVYYGUNAGNQGN-UHFFFAOYSA-N
XLogP1.81
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 106025545
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 23934706

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol (CID 60910129) is 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNC1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is GKVYYGUNAGNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(15-6-4-3-5-7-15)21-13-17(20)12-18-16-8-10-19(2)11-9-16/h3-7,14,16-18,20H,8-13H2,1-2H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol?
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 60910129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).