2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride

C18H30Cl2N2O2 — CID 142749388

IUPAC2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride
SMILESCCCCC(CCN1CCN(c2ccccc2)CC1)C(=O)O.Cl.Cl
InChIInChI=1S/C18H28N2O2.2ClH/c1-2-3-7-16(18(21)22)10-11-19-12-14-20(15-13-19)17-8-5-4-6-9-17;;/h4-6,8-9,16H,2-3,7,10-15H2,1H3,(H,21,22);2*1H
InChIKeyAVMGVZSFDJFHJR-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.93
Rot. Bonds8

About 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride

2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride (PubChem CID 142749388) has the molecular formula C18H30Cl2N2O2 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride
PubChem CID142749388
Molecular FormulaC18H30Cl2N2O2
Molecular Weight377.36 g/mol
Exact Mass376.17
IUPAC Name2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride
SMILESCCCCC(CCN1CCN(c2ccccc2)CC1)C(=O)O.Cl.Cl
InChIInChI=1S/C18H28N2O2.2ClH/c1-2-3-7-16(18(21)22)10-11-19-12-14-20(15-13-19)17-8-5-4-6-9-17;;/h4-6,8-9,16H,2-3,7,10-15H2,1H3,(H,21,22);2*1H
InChIKeyAVMGVZSFDJFHJR-UHFFFAOYSA-N
XLogP3.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
CID 142749227
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
4-(4-hexylpiperazin-1-yl)benzoic acid
CID 167523734
2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 71910704
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 38809706
N-butyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
CID 134118087
2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204
[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281574
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride?
The IUPAC name of 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride (CID 142749388) is 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride.
What is the SMILES notation for 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride?
The canonical SMILES for 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride is CCCCC(CCN1CCN(c2ccccc2)CC1)C(=O)O.Cl.Cl.
What is the InChIKey of 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride?
The InChIKey is AVMGVZSFDJFHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.2ClH/c1-2-3-7-16(18(21)22)10-11-19-12-14-20(15-13-19)17-8-5-4-6-9-17;;/h4-6,8-9,16H,2-3,7,10-15H2,1H3,(H,21,22);2*1H.
What are the key properties of 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride?
2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride is sourced from PubChem (CID 142749388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).