1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol

C19H32N2O2 — CID 111462643

IUPAC1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
SMILESCCC(O)C1CCCCN1CC(O)CN(C)Cc1ccccc1
InChIInChI=1S/C19H32N2O2/c1-3-19(23)18-11-7-8-12-21(18)15-17(22)14-20(2)13-16-9-5-4-6-10-16/h4-6,9-10,17-19,22-23H,3,7-8,11-15H2,1-2H3
InChIKeyXEZMTTLFKZTMBZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.10
Rot. Bonds8

About 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol

1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol (PubChem CID 111462643) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
PubChem CID111462643
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
SMILESCCC(O)C1CCCCN1CC(O)CN(C)Cc1ccccc1
InChIInChI=1S/C19H32N2O2/c1-3-19(23)18-11-7-8-12-21(18)15-17(22)14-20(2)13-16-9-5-4-6-10-16/h4-6,9-10,17-19,22-23H,3,7-8,11-15H2,1-2H3
InChIKeyXEZMTTLFKZTMBZ-UHFFFAOYSA-N
XLogP2.10
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426746
(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95610412
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 100842295
1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol
CID 111461994
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 99846844
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431
1-[benzyl(methyl)amino]-3-(6-methoxy-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propan-2-ol
CID 109397522
1-[benzyl(methyl)amino]-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-ol
CID 110929917
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489897
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol (CID 111462643) is 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol is CCC(O)C1CCCCN1CC(O)CN(C)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol?
The InChIKey is XEZMTTLFKZTMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-19(23)18-11-7-8-12-21(18)15-17(22)14-20(2)13-16-9-5-4-6-10-16/h4-6,9-10,17-19,22-23H,3,7-8,11-15H2,1-2H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol?
1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol has a molecular weight of 320.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 111462643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).