1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one

C10H20N2O3 — CID 165443963

IUPAC1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC(N)(CO)C1
InChIInChI=1S/C10H20N2O3/c1-15-6-3-9(14)12-5-2-4-10(11,7-12)8-13/h13H,2-8,11H2,1H3
InChIKeyHWXRFYXEQACFBJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.66
Rot. Bonds4

About 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one

1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 165443963) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID165443963
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC(N)(CO)C1
InChIInChI=1S/C10H20N2O3/c1-15-6-3-9(14)12-5-2-4-10(11,7-12)8-13/h13H,2-8,11H2,1H3
InChIKeyHWXRFYXEQACFBJ-UHFFFAOYSA-N
XLogP-0.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 165447253
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 72854038
[2-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]urea
CID 97136708
3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97132495
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 125012347
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
CID 155990558

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one (CID 165443963) is 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCC(N)(CO)C1.
What is the InChIKey of 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is HWXRFYXEQACFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-6-3-9(14)12-5-2-4-10(11,7-12)8-13/h13H,2-8,11H2,1H3.
What are the key properties of 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one?
1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 216.28 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 165443963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).