3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine

C26H45N5 — CID 143648202

IUPAC3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCC.CN(CCCN)c1ccccc1.NCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H23N3.C10H16N2.C2H6/c15-7-4-8-16-9-11-17(12-10-16)13-14-5-2-1-3-6-14;1-12(9-5-8-11)10-6-3-2-4-7-10;1-2/h1-3,5-6H,4,7-13,15H2;2-4,6-7H,5,8-9,11H2,1H3;1-2H3
InChIKeyNSSFPKSKDYZVRU-UHFFFAOYSA-N
MW427.68 g/mol
LogP3.65
Rot. Bonds9

About 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine

3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 143648202) has the molecular formula C26H45N5 and a molecular weight of 427.68 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID143648202
Molecular FormulaC26H45N5
Molecular Weight427.68 g/mol
Exact Mass427.37
IUPAC Name3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCC.CN(CCCN)c1ccccc1.NCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H23N3.C10H16N2.C2H6/c15-7-4-8-16-9-11-17(12-10-16)13-14-5-2-1-3-6-14;1-12(9-5-8-11)10-6-3-2-4-7-10;1-2/h1-3,5-6H,4,7-13,15H2;2-4,6-7H,5,8-9,11H2,1H3;1-2H3
InChIKeyNSSFPKSKDYZVRU-UHFFFAOYSA-N
XLogP3.65
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.68
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
1-benzyl-4-butylpiperazine;ethane
CID 90954358
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CID 107367822
1-benzyl-4-heptylpiperazine
CID 22088087
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
N-methyl-N-(2-phenylethyl)-4-(piperidin-1-ylmethyl)aniline;dihydrochloride
CID 67793853
2-[3-(4-benzylpiperazin-1-yl)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111059138
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine (CID 143648202) is 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine is CC.CN(CCCN)c1ccccc1.NCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is NSSFPKSKDYZVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C10H16N2.C2H6/c15-7-4-8-16-9-11-17(12-10-16)13-14-5-2-1-3-6-14;1-12(9-5-8-11)10-6-3-2-4-7-10;1-2/h1-3,5-6H,4,7-13,15H2;2-4,6-7H,5,8-9,11H2,1H3;1-2H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine?
3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 427.68 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 143648202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).