1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one

C10H20N2O2 — CID 54085854

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one
SMILESCC(O)CC(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H20N2O2/c1-8(13)6-10(14)12-4-2-9(7-11)3-5-12/h8-9,13H,2-7,11H2,1H3
InChIKeyMQKAEVJWYINKNU-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds3

About 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one

1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one (PubChem CID 54085854) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one
PubChem CID54085854
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one
SMILESCC(O)CC(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H20N2O2/c1-8(13)6-10(14)12-4-2-9(7-11)3-5-12/h8-9,13H,2-7,11H2,1H3
InChIKeyMQKAEVJWYINKNU-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Butoctamide
CID 65780
n-(2-Hydroxypropyl)piperidine-4-carboxamide
CID 16769868
N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 3612729
4-Piperidinol, 1-(4-piperidinylacetyl)-
CID 10036651
4,4,4-Trifluoro-3-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one
CID 118906981
(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one
CID 139353882
3-Hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylpropanamide
CID 56746225
N-[(2R)-2-hydroxypropyl]piperidine-4-carboxamide
CID 7172190
N-(3-hydroxypropyl)-1-methylpiperidine-4-carboxamide
CID 15068852
(4-Hydroxypiperidin-1-yl)-piperidin-4-ylmethanone
CID 18072788
2-Amino-1-(4-ethylpiperidin-1-yl)-3-hydroxypropan-1-one
CID 18715078

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one (CID 54085854) is 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one is CC(O)CC(=O)N1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one?
The InChIKey is MQKAEVJWYINKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)6-10(14)12-4-2-9(7-11)3-5-12/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one?
1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-3-hydroxybutan-1-one is sourced from PubChem (CID 54085854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).