4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C14H21FN4O — CID 108867667

IUPAC4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN4O/c15-13-3-1-12(2-4-13)11-17-14(20)19-9-7-18(6-5-16)8-10-19/h1-4H,5-11,16H2,(H,17,20)
InChIKeyDFABFYAFSVMVGG-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.61
Rot. Bonds4

About 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 108867667) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID108867667
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN4O/c15-13-3-1-12(2-4-13)11-17-14(20)19-9-7-18(6-5-16)8-10-19/h1-4H,5-11,16H2,(H,17,20)
InChIKeyDFABFYAFSVMVGG-UHFFFAOYSA-N
XLogP0.61
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113106114
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 43251745
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 108867667) is 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is NCCN1CCN(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is DFABFYAFSVMVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-13-3-1-12(2-4-13)11-17-14(20)19-9-7-18(6-5-16)8-10-19/h1-4H,5-11,16H2,(H,17,20).
What are the key properties of 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 108867667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).