1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone

C16H31N3O2 — CID 122556586

IUPAC1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCC(CCCO)C1)C1CCNCC1
InChIInChI=1S/C16H31N3O2/c1-18(15-6-8-17-9-7-15)13-16(21)19-10-2-4-14(12-19)5-3-11-20/h14-15,17,20H,2-13H2,1H3
InChIKeyXLCSAWQAQGTTEQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.68
Rot. Bonds6

About 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone

1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone (PubChem CID 122556586) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
PubChem CID122556586
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCC(CCCO)C1)C1CCNCC1
InChIInChI=1S/C16H31N3O2/c1-18(15-6-8-17-9-7-15)13-16(21)19-10-2-4-14(12-19)5-3-11-20/h14-15,17,20H,2-13H2,1H3
InChIKeyXLCSAWQAQGTTEQ-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone with MolForge

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Related Compounds

1-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 125435498
1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
CID 154910640
1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
CID 154910756
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
1-(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 156609504
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?
The IUPAC name of 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone (CID 122556586) is 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone is CN(CC(=O)N1CCCC(CCCO)C1)C1CCNCC1.
What is the InChIKey of 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?
The InChIKey is XLCSAWQAQGTTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18(15-6-8-17-9-7-15)13-16(21)19-10-2-4-14(12-19)5-3-11-20/h14-15,17,20H,2-13H2,1H3.
What are the key properties of 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?
1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone has a molecular weight of 297.44 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone is sourced from PubChem (CID 122556586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).