3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride

C14H28ClN3O2 — CID 120981559

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCOCC1CCN(CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-19-12-13-2-7-16(8-3-13)9-4-14(18)17-10-5-15-6-11-17;/h13,15H,2-12H2,1H3;1H
InChIKeyBAWQBHJIGKXCEF-UHFFFAOYSA-N
MW305.85 g/mol
LogP0.59
Rot. Bonds5

About 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981559) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981559
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCOCC1CCN(CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-19-12-13-2-7-16(8-3-13)9-4-14(18)17-10-5-15-6-11-17;/h13,15H,2-12H2,1H3;1H
InChIKeyBAWQBHJIGKXCEF-UHFFFAOYSA-N
XLogP0.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
3-[(3R)-3-methoxypyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981790
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981105
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215
3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981575

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981559) is 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride is COCC1CCN(CCC(=O)N2CCNCC2)CC1.Cl.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is BAWQBHJIGKXCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-19-12-13-2-7-16(8-3-13)9-4-14(18)17-10-5-15-6-11-17;/h13,15H,2-12H2,1H3;1H.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).