1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

C19H32N2O3 — CID 110904967

IUPAC1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOc1ccc(OC)c(C(C)NCC(O)CN2CCC(C)CC2)c1
InChIInChI=1S/C19H32N2O3/c1-14-7-9-21(10-8-14)13-16(22)12-20-15(2)18-11-17(23-3)5-6-19(18)24-4/h5-6,11,14-16,20,22H,7-10,12-13H2,1-4H3
InChIKeyLEVJYQFJOXYWET-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.45
Rot. Bonds8

About 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 110904967) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID110904967
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOc1ccc(OC)c(C(C)NCC(O)CN2CCC(C)CC2)c1
InChIInChI=1S/C19H32N2O3/c1-14-7-9-21(10-8-14)13-16(22)12-20-15(2)18-11-17(23-3)5-6-19(18)24-4/h5-6,11,14-16,20,22H,7-10,12-13H2,1-4H3
InChIKeyLEVJYQFJOXYWET-UHFFFAOYSA-N
XLogP2.45
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
cyclohexylmethyl-[(2R)-3-[1-(2,5-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]phosphinic acid
CID 67741808
3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778618
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904927
benzyl-[3-[1-(2,5-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]phosphinic acid
CID 18981790
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904891
1-(2,5-dimethoxyphenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanol
CID 62332362
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111106170
1-cyclopropyl-2-[1-(2,4-dimethoxyphenyl)ethylamino]ethanol
CID 63294530
(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine
CID 124572307
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905094

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 110904967) is 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is COc1ccc(OC)c(C(C)NCC(O)CN2CCC(C)CC2)c1.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is LEVJYQFJOXYWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-14-7-9-21(10-8-14)13-16(22)12-20-15(2)18-11-17(23-3)5-6-19(18)24-4/h5-6,11,14-16,20,22H,7-10,12-13H2,1-4H3.
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 110904967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).