1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride

C16H31Cl2N3O — CID 119843625

IUPAC1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCN(C2CC2)CC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-13(14-3-2-6-17-12-14)11-16(20)19-9-7-18(8-10-19)15-4-5-15;;/h13-15,17H,2-12H2,1H3;2*1H
InChIKeyZFZXTPARKMPTDT-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.16
Rot. Bonds4

About 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride

1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride (PubChem CID 119843625) has the molecular formula C16H31Cl2N3O and a molecular weight of 352.35 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
PubChem CID119843625
Molecular FormulaC16H31Cl2N3O
Molecular Weight352.35 g/mol
Exact Mass351.18
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCN(C2CC2)CC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H29N3O.2ClH/c1-13(14-3-2-6-17-12-14)11-16(20)19-9-7-18(8-10-19)15-4-5-15;;/h13-15,17H,2-12H2,1H3;2*1H
InChIKeyZFZXTPARKMPTDT-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
1-[4-(2-methoxyethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838543
1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043600

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride (CID 119843625) is 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride is CC(CC(=O)N1CCN(C2CC2)CC1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The InChIKey is ZFZXTPARKMPTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.2ClH/c1-13(14-3-2-6-17-12-14)11-16(20)19-9-7-18(8-10-19)15-4-5-15;;/h13-15,17H,2-12H2,1H3;2*1H.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride?
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride has a molecular weight of 352.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride is sourced from PubChem (CID 119843625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).