1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine

C18H29ClN2 — CID 64876760

IUPAC1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine
SMILESCCC1(C)CN(Cc2cccc(Cl)c2)C(CC)(CC)CN1
InChIInChI=1S/C18H29ClN2/c1-5-17(4)14-21(18(6-2,7-3)13-20-17)12-15-9-8-10-16(19)11-15/h8-11,20H,5-7,12-14H2,1-4H3
InChIKeyFTHAPGMPWBKJNB-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.47
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine

1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine (PubChem CID 64876760) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine
PubChem CID64876760
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine
SMILESCCC1(C)CN(Cc2cccc(Cl)c2)C(CC)(CC)CN1
InChIInChI=1S/C18H29ClN2/c1-5-17(4)14-21(18(6-2,7-3)13-20-17)12-15-9-8-10-16(19)11-15/h8-11,20H,5-7,12-14H2,1-4H3
InChIKeyFTHAPGMPWBKJNB-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine (CID 64876760) is 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine is CCC1(C)CN(Cc2cccc(Cl)c2)C(CC)(CC)CN1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine?
The InChIKey is FTHAPGMPWBKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-5-17(4)14-21(18(6-2,7-3)13-20-17)12-15-9-8-10-16(19)11-15/h8-11,20H,5-7,12-14H2,1-4H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine?
1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine has a molecular weight of 308.90 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2,2,5-triethyl-5-methylpiperazine is sourced from PubChem (CID 64876760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).