1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride

C18H31Cl2N3 — CID 120663604

IUPAC1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
SMILESCc1cccc(N2CCN(CCC3CCNCC3)CC2)c1.Cl.Cl
InChIInChI=1S/C18H29N3.2ClH/c1-16-3-2-4-18(15-16)21-13-11-20(12-14-21)10-7-17-5-8-19-9-6-17;;/h2-4,15,17,19H,5-14H2,1H3;2*1H
InChIKeyPIZJVSQGMVHSRR-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.35
Rot. Bonds4

About 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride

1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride (PubChem CID 120663604) has the molecular formula C18H31Cl2N3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
PubChem CID120663604
Molecular FormulaC18H31Cl2N3
Molecular Weight360.37 g/mol
Exact Mass359.19
IUPAC Name1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
SMILESCc1cccc(N2CCN(CCC3CCNCC3)CC2)c1.Cl.Cl
InChIInChI=1S/C18H29N3.2ClH/c1-16-3-2-4-18(15-16)21-13-11-20(12-14-21)10-7-17-5-8-19-9-6-17;;/h2-4,15,17,19H,5-14H2,1H3;2*1H
InChIKeyPIZJVSQGMVHSRR-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173113720
1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
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1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
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1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381
1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
CID 171069708
(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 148615412
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol
CID 62221487

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride?
The IUPAC name of 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride (CID 120663604) is 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride is Cc1cccc(N2CCN(CCC3CCNCC3)CC2)c1.Cl.Cl.
What is the InChIKey of 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride?
The InChIKey is PIZJVSQGMVHSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3.2ClH/c1-16-3-2-4-18(15-16)21-13-11-20(12-14-21)10-7-17-5-8-19-9-6-17;;/h2-4,15,17,19H,5-14H2,1H3;2*1H.
What are the key properties of 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride?
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride has a molecular weight of 360.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride is sourced from PubChem (CID 120663604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).