4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine

C17H26ClN3 — CID 60849989

IUPAC4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESNC1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C17H26ClN3/c18-15-3-7-17(8-4-15)21-11-9-20(10-12-21)13-14-1-5-16(19)6-2-14/h3-4,7-8,14,16H,1-2,5-6,9-13,19H2
InChIKeyPFROUOVDRPJMKX-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.98
Rot. Bonds3

About 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine

4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 60849989) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
PubChem CID60849989
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESNC1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C17H26ClN3/c18-15-3-7-17(8-4-15)21-11-9-20(10-12-21)13-14-1-5-16(19)6-2-14/h3-4,7-8,14,16H,1-2,5-6,9-13,19H2
InChIKeyPFROUOVDRPJMKX-UHFFFAOYSA-N
XLogP2.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine (CID 60849989) is 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine is NC1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is PFROUOVDRPJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c18-15-3-7-17(8-4-15)21-11-9-20(10-12-21)13-14-1-5-16(19)6-2-14/h3-4,7-8,14,16H,1-2,5-6,9-13,19H2.
What are the key properties of 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine?
4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 307.87 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 60849989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).