1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride

C12H24ClN3O — CID 120848820

IUPAC1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride
SMILESCC1CN(CC2CCNCC2)CC(=O)N1C.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-10-7-15(9-12(16)14(10)2)8-11-3-5-13-6-4-11;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyBENDLSQHGUYXBN-UHFFFAOYSA-N
MW261.80 g/mol
LogP0.57
Rot. Bonds2

About 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride

1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride (PubChem CID 120848820) has the molecular formula C12H24ClN3O and a molecular weight of 261.80 g/mol. Its IUPAC name is 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride
PubChem CID120848820
Molecular FormulaC12H24ClN3O
Molecular Weight261.80 g/mol
Exact Mass261.16
IUPAC Name1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride
SMILESCC1CN(CC2CCNCC2)CC(=O)N1C.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-10-7-15(9-12(16)14(10)2)8-11-3-5-13-6-4-11;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyBENDLSQHGUYXBN-UHFFFAOYSA-N
XLogP0.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
3-(2-methoxyethyl)-1-(piperidin-4-ylmethyl)imidazolidin-4-one;hydrochloride
CID 120857386
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
CID 103533927
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 120849524
4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
CID 128702306
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride (CID 120848820) is 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride is CC1CN(CC2CCNCC2)CC(=O)N1C.Cl.
What is the InChIKey of 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride?
The InChIKey is BENDLSQHGUYXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.ClH/c1-10-7-15(9-12(16)14(10)2)8-11-3-5-13-6-4-11;/h10-11,13H,3-9H2,1-2H3;1H.
What are the key properties of 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride?
1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 120848820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).