N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride

C17H27ClFN3O2 — CID 70382435

IUPACN-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(CCCC(O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H26FN3O2.ClH/c1-2-19-17(23)21-12-10-20(11-13-21)9-3-4-16(22)14-5-7-15(18)8-6-14;/h5-8,16,22H,2-4,9-13H2,1H3,(H,19,23);1H
InChIKeyVXNZCHRFYOGXOK-UHFFFAOYSA-N
MW359.87 g/mol
LogP2.41
Rot. Bonds6

About N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride

N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 70382435) has the molecular formula C17H27ClFN3O2 and a molecular weight of 359.87 g/mol. Its IUPAC name is N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
PubChem CID70382435
Molecular FormulaC17H27ClFN3O2
Molecular Weight359.87 g/mol
Exact Mass359.18
IUPAC NameN-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(CCCC(O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H26FN3O2.ClH/c1-2-19-17(23)21-12-10-20(11-13-21)9-3-4-16(22)14-5-7-15(18)8-6-14;/h5-8,16,22H,2-4,9-13H2,1H3,(H,19,23);1H
InChIKeyVXNZCHRFYOGXOK-UHFFFAOYSA-N
XLogP2.41
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.87
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
CID 70381560
N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-2-iodopiperazine-1-carboxamide;hydrochloride
CID 70381815
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
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CID 157300457
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449
N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109172
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride (CID 70382435) is N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride is CCNC(=O)N1CCN(CCCC(O)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is VXNZCHRFYOGXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2.ClH/c1-2-19-17(23)21-12-10-20(11-13-21)9-3-4-16(22)14-5-7-15(18)8-6-14;/h5-8,16,22H,2-4,9-13H2,1H3,(H,19,23);1H.
What are the key properties of N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride?
N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 359.87 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 70382435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).