4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

C18H27Cl2N3 — CID 44621617

IUPAC4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C18H27Cl2N3/c19-16-2-1-3-17(18(16)20)23-12-10-22(11-13-23)9-8-14-4-6-15(21)7-5-14/h1-3,14-15H,4-13,21H2
InChIKeyOSFYUOBMIMRRQJ-UHFFFAOYSA-N
MW356.34 g/mol
LogP4.02
Rot. Bonds4

About 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 44621617) has the molecular formula C18H27Cl2N3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID44621617
Molecular FormulaC18H27Cl2N3
Molecular Weight356.34 g/mol
Exact Mass355.16
IUPAC Name4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C18H27Cl2N3/c19-16-2-1-3-17(18(16)20)23-12-10-22(11-13-23)9-8-14-4-6-15(21)7-5-14/h1-3,14-15H,4-13,21H2
InChIKeyOSFYUOBMIMRRQJ-UHFFFAOYSA-N
XLogP4.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine (CID 44621617) is 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.
What is the InChIKey of 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is OSFYUOBMIMRRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3/c19-16-2-1-3-17(18(16)20)23-12-10-22(11-13-23)9-8-14-4-6-15(21)7-5-14/h1-3,14-15H,4-13,21H2.
What are the key properties of 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 356.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 44621617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).