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

C9H18N2O2 — CID 43590313

IUPAC3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C9H18N2O2/c10-4-3-9(13)11-5-1-2-8(6-11)7-12/h8,12H,1-7,10H2
InChIKeyQPDXQLIJNDJNHW-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.43
Rot. Bonds3

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

3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 43590313) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID43590313
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCC(CO)C1
InChIInChI=1S/C9H18N2O2/c10-4-3-9(13)11-5-1-2-8(6-11)7-12/h8,12H,1-7,10H2
InChIKeyQPDXQLIJNDJNHW-UHFFFAOYSA-N
XLogP-0.43
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Hydroxypropyl)piperidine-3-carboxamide
CID 2769368
1-[3-(Hydroxymethyl)-1-piperidinyl]-3-methyl-1-butanone
CID 43422397
9-(Hydroxymethyl)-1,5-diazacycloundecan-2-one
CID 110201498
3-[3-(Hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 56794340
2,2,2-trifluoro-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]acetamide
CID 109966517
1-(5-hydroxypentyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111489348
3-Amino-1-(3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl)propan-1-one
CID 121203053
3-amino-1-[(3R,4S)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 129503245
3-amino-1-[(3S,4R)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 129503246
3-amino-1-[(3S,4S)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 129503247
3-amino-1-[(3R,4R)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
CID 129503248
4,4,4-trifluoro-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]butanamide
CID 129617363

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 43590313) is 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is NCCC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is QPDXQLIJNDJNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-4-3-9(13)11-5-1-2-8(6-11)7-12/h8,12H,1-7,10H2.
What are the key properties of 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43590313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).