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

C15H33Cl2N3O2 — CID 120503814

IUPAC3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride
SMILESCC(O)CN1CCC(CN(C)C(=O)C(C)C(C)N)CC1.Cl.Cl
InChIInChI=1S/C15H31N3O2.2ClH/c1-11(19)9-18-7-5-14(6-8-18)10-17(4)15(20)12(2)13(3)16;;/h11-14,19H,5-10,16H2,1-4H3;2*1H
InChIKeyLNSJPHLGBAAGNK-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.36
Rot. Bonds6

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

3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride (PubChem CID 120503814) has the molecular formula C15H33Cl2N3O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride
PubChem CID120503814
Molecular FormulaC15H33Cl2N3O2
Molecular Weight358.35 g/mol
Exact Mass357.19
IUPAC Name3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride
SMILESCC(O)CN1CCC(CN(C)C(=O)C(C)C(C)N)CC1.Cl.Cl
InChIInChI=1S/C15H31N3O2.2ClH/c1-11(19)9-18-7-5-14(6-8-18)10-17(4)15(20)12(2)13(3)16;;/h11-14,19H,5-10,16H2,1-4H3;2*1H
InChIKeyLNSJPHLGBAAGNK-UHFFFAOYSA-N
XLogP1.36
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387
1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
(2S,4S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120646459
(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride
CID 120941340
N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941341
4-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95313414
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
4-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]butanenitrile
CID 95339513
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride (CID 120503814) is 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride is CC(O)CN1CCC(CN(C)C(=O)C(C)C(C)N)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride?
The InChIKey is LNSJPHLGBAAGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2.2ClH/c1-11(19)9-18-7-5-14(6-8-18)10-17(4)15(20)12(2)13(3)16;;/h11-14,19H,5-10,16H2,1-4H3;2*1H.
What are the key properties of 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride?
3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride has a molecular weight of 358.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride is sourced from PubChem (CID 120503814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).