1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine

C24H32N2O — CID 170863809

IUPAC1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(OCC3CC3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H32N2O/c1-25-14-16-26(17-15-25)13-5-6-20-11-12-24(27-19-21-9-10-21)23(18-20)22-7-3-2-4-8-22/h2-4,7-8,11-12,18,21H,5-6,9-10,13-17,19H2,1H3
InChIKeyFTMSCCUQOODODA-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.32
Rot. Bonds8

About 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine

1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine (PubChem CID 170863809) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine
PubChem CID170863809
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(OCC3CC3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H32N2O/c1-25-14-16-26(17-15-25)13-5-6-20-11-12-24(27-19-21-9-10-21)23(18-20)22-7-3-2-4-8-22/h2-4,7-8,11-12,18,21H,5-6,9-10,13-17,19H2,1H3
InChIKeyFTMSCCUQOODODA-UHFFFAOYSA-N
XLogP4.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622
4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine
CID 146589278
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
1-[3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863606

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine (CID 170863809) is 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine is CN1CCN(CCCc2ccc(OCC3CC3)c(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine?
The InChIKey is FTMSCCUQOODODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-25-14-16-26(17-15-25)13-5-6-20-11-12-24(27-19-21-9-10-21)23(18-20)22-7-3-2-4-8-22/h2-4,7-8,11-12,18,21H,5-6,9-10,13-17,19H2,1H3.
What are the key properties of 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine?
1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine has a molecular weight of 364.53 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).