N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine

C16H26ClN3 — CID 60854667

IUPACN-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-3-14(2)18-8-9-19-10-12-20(13-11-19)16-7-5-4-6-15(16)17/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeyYFHMGQWSMHIGKV-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine (PubChem CID 60854667) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
PubChem CID60854667
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
SMILESCCC(C)NCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-3-14(2)18-8-9-19-10-12-20(13-11-19)16-7-5-4-6-15(16)17/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeyYFHMGQWSMHIGKV-UHFFFAOYSA-N
XLogP2.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine?
The IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine (CID 60854667) is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine is CCC(C)NCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine?
The InChIKey is YFHMGQWSMHIGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-14(2)18-8-9-19-10-12-20(13-11-19)16-7-5-4-6-15(16)17/h4-7,14,18H,3,8-13H2,1-2H3.
What are the key properties of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine?
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine has a molecular weight of 295.86 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine is sourced from PubChem (CID 60854667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).