(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride

C25H42Cl2N4O — CID 154896164

IUPAC(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
SMILESCC1CNCCN1C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.Cl.Cl
InChIInChI=1S/C25H40N4O.2ClH/c1-21-20-26-13-19-29(21)25(30)23-9-17-28(18-10-23)24-11-15-27(16-12-24)14-5-8-22-6-3-2-4-7-22;;/h2-4,6-7,21,23-24,26H,5,8-20H2,1H3;2*1H
InChIKeyXNVCWXFKYQPQPO-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.46
Rot. Bonds6

About (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride

(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride (PubChem CID 154896164) has the molecular formula C25H42Cl2N4O and a molecular weight of 485.54 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
PubChem CID154896164
Molecular FormulaC25H42Cl2N4O
Molecular Weight485.54 g/mol
Exact Mass484.27
IUPAC Name(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
SMILESCC1CNCCN1C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.Cl.Cl
InChIInChI=1S/C25H40N4O.2ClH/c1-21-20-26-13-19-29(21)25(30)23-9-17-28(18-10-23)24-11-15-27(16-12-24)14-5-8-22-6-3-2-4-7-22;;/h2-4,6-7,21,23-24,26H,5,8-20H2,1H3;2*1H
InChIKeyXNVCWXFKYQPQPO-UHFFFAOYSA-N
XLogP3.46
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride (CID 154896164) is (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride is CC1CNCCN1C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.Cl.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride?
The InChIKey is XNVCWXFKYQPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O.2ClH/c1-21-20-26-13-19-29(21)25(30)23-9-17-28(18-10-23)24-11-15-27(16-12-24)14-5-8-22-6-3-2-4-7-22;;/h2-4,6-7,21,23-24,26H,5,8-20H2,1H3;2*1H.
What are the key properties of (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride?
(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride has a molecular weight of 485.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 154896164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).