4-(Piperidin-1-yl)butan-2-one hydrochloride

C9H18ClNO — CID 24213210

IUPAC4-piperidin-1-ylbutan-2-one;hydrochloride
SMILESCC(=O)CCN1CCCCC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-9(11)5-8-10-6-3-2-4-7-10;/h2-8H2,1H3;1H
InChIKeyFGDUUYMJWZKRPN-UHFFFAOYSA-N
MW191.70 g/mol
LogP—
Rot. Bonds3

About 4-(Piperidin-1-yl)butan-2-one hydrochloride

4-(Piperidin-1-yl)butan-2-one hydrochloride (PubChem CID 24213210) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-piperidin-1-ylbutan-2-one;hydrochloride.

Molecular Properties

Compound Name4-(Piperidin-1-yl)butan-2-one hydrochloride
PubChem CID24213210
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-piperidin-1-ylbutan-2-one;hydrochloride
SMILESCC(=O)CCN1CCCCC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-9(11)5-8-10-6-3-2-4-7-10;/h2-8H2,1H3;1H
InChIKeyFGDUUYMJWZKRPN-UHFFFAOYSA-N
XLogP—
TPSA20.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity128

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-piperidone
CID 74049
1-Ethylpiperidin-4-one
CID 77159
1-(Isopropyl)-4-piperidone
CID 79313
1,1-Dimethyl-4-oxopiperidin-1-ium iodide
CID 11149497
1-tert-Butyl-4-piperidone
CID 73840
1-Butyl-4-piperidone
CID 89995
1-Propyl-4-piperidone
CID 90006
4-(Piperidin-1-yl)butan-2-one
CID 414358
2-Pentanone, 5-piperidino-, hydrochloride
CID 108987
1-Isobutyl-4-piperidone
CID 4202451
1-(3-Methoxypropyl)-4-piperidinone
CID 18002008
1-(Piperidin-1-yl)propan-2-one hydrochloride
CID 67491961

Frequently Asked Questions

What is the IUPAC name of 4-(Piperidin-1-yl)butan-2-one hydrochloride?
The IUPAC name of 4-(Piperidin-1-yl)butan-2-one hydrochloride (CID 24213210) is 4-piperidin-1-ylbutan-2-one;hydrochloride.
What is the SMILES notation for 4-(Piperidin-1-yl)butan-2-one hydrochloride?
The canonical SMILES for 4-(Piperidin-1-yl)butan-2-one hydrochloride is CC(=O)CCN1CCCCC1.Cl.
What is the InChIKey of 4-(Piperidin-1-yl)butan-2-one hydrochloride?
The InChIKey is FGDUUYMJWZKRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-9(11)5-8-10-6-3-2-4-7-10;/h2-8H2,1H3;1H.
What are the key properties of 4-(Piperidin-1-yl)butan-2-one hydrochloride?
4-(Piperidin-1-yl)butan-2-one hydrochloride has a molecular weight of 191.70 g/mol, XLogP of not available, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Piperidin-1-yl)butan-2-one hydrochloride is sourced from PubChem (CID 24213210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).