1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride

C16H27Cl2N3 — CID 56831723

IUPAC1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCN(CC3CCNC3)CC2)cc1
InChIInChI=1S/C16H25N3.2ClH/c1-2-4-15(5-3-1)13-18-8-10-19(11-9-18)14-16-6-7-17-12-16;;/h1-5,16-17H,6-14H2;2*1H
InChIKeyDOSWAWCXPUWEFB-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.26
Rot. Bonds4

About 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride

1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride (PubChem CID 56831723) has the molecular formula C16H27Cl2N3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
PubChem CID56831723
Molecular FormulaC16H27Cl2N3
Molecular Weight332.32 g/mol
Exact Mass331.16
IUPAC Name1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCN(CC3CCNC3)CC2)cc1
InChIInChI=1S/C16H25N3.2ClH/c1-2-4-15(5-3-1)13-18-8-10-19(11-9-18)14-16-6-7-17-12-16;;/h1-5,16-17H,6-14H2;2*1H
InChIKeyDOSWAWCXPUWEFB-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
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CID 170185695
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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1-benzylpiperidin-4-amine;piperazine
CID 68641719
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
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CID 67802742
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
[(6S)-1-benzyl-1,4-diazepan-6-yl]methanol
CID 86314075
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
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azane;1-benzylpiperazine
CID 174866973

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride?
The IUPAC name of 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride (CID 56831723) is 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride is Cl.Cl.c1ccc(CN2CCN(CC3CCNC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride?
The InChIKey is DOSWAWCXPUWEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.2ClH/c1-2-4-15(5-3-1)13-18-8-10-19(11-9-18)14-16-6-7-17-12-16;;/h1-5,16-17H,6-14H2;2*1H.
What are the key properties of 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride?
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride has a molecular weight of 332.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride is sourced from PubChem (CID 56831723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).