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

C16H33Cl2N3O2 — CID 154910640

IUPAC1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
SMILESCN(CC(=O)N1CCCC(CCCO)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/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;2*1H
InChIKeySAFVFRUIXVTKPV-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.52
Rot. Bonds6

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

1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride (PubChem CID 154910640) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
PubChem CID154910640
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Name1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
SMILESCN(CC(=O)N1CCCC(CCCO)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/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;2*1H
InChIKeySAFVFRUIXVTKPV-UHFFFAOYSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 122556586
1-[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 125435498
1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
CID 154910756
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
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
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride?
The IUPAC name of 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride (CID 154910640) is 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride.
What is the SMILES notation for 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride?
The canonical SMILES for 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride is CN(CC(=O)N1CCCC(CCCO)C1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride?
The InChIKey is SAFVFRUIXVTKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/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;2*1H.
What are the key properties of 1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride?
1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.52, 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;dihydrochloride is sourced from PubChem (CID 154910640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).