4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride

C10H20ClN3O — CID 156593487

IUPAC4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(CC2CCCCN2)CCN1
InChIInChI=1S/C10H19N3O.ClH/c14-10-8-13(6-5-12-10)7-9-3-1-2-4-11-9;/h9,11H,1-8H2,(H,12,14);1H
InChIKeyWKQWAMZBICFVHT-UHFFFAOYSA-N
MW233.74 g/mol
LogP-0.02
Rot. Bonds2

About 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride

4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride (PubChem CID 156593487) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
PubChem CID156593487
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC Name4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(CC2CCCCN2)CCN1
InChIInChI=1S/C10H19N3O.ClH/c14-10-8-13(6-5-12-10)7-9-3-1-2-4-11-9;/h9,11H,1-8H2,(H,12,14);1H
InChIKeyWKQWAMZBICFVHT-UHFFFAOYSA-N
XLogP-0.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
4-(piperidin-2-ylmethylsulfonyl)piperazin-2-one
CID 54973565
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperazin-2-one
CID 50971793
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828
4-(2-piperidin-2-ylethylsulfonyl)-1,4-diazepan-2-one
CID 65364180
4-(2-pyrrolidin-2-ylacetyl)piperazin-2-one;hydrochloride
CID 119681672
1-(piperidin-2-ylmethyl)pyrazolidin-3-one
CID 105440737
4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one
CID 126793831
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride (CID 156593487) is 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride is Cl.O=C1CN(CC2CCCCN2)CCN1.
What is the InChIKey of 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride?
The InChIKey is WKQWAMZBICFVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c14-10-8-13(6-5-12-10)7-9-3-1-2-4-11-9;/h9,11H,1-8H2,(H,12,14);1H.
What are the key properties of 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride?
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 156593487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).