1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine

C18H29ClN2 — CID 66255685

IUPAC1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(c2c(C)cccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C18H29ClN2/c1-6-18(7-2)12-21(16(11-20-18)13(3)4)17-14(5)9-8-10-15(17)19/h8-10,13,16,20H,6-7,11-12H2,1-5H3
InChIKeySLNLPYDUDQBHIW-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.64
Rot. Bonds4

About 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine

1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine (PubChem CID 66255685) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine
PubChem CID66255685
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(c2c(C)cccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C18H29ClN2/c1-6-18(7-2)12-21(16(11-20-18)13(3)4)17-14(5)9-8-10-15(17)19/h8-10,13,16,20H,6-7,11-12H2,1-5H3
InChIKeySLNLPYDUDQBHIW-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine (CID 66255685) is 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine is CCC1(CC)CN(c2c(C)cccc2Cl)C(C(C)C)CN1.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The InChIKey is SLNLPYDUDQBHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-6-18(7-2)12-21(16(11-20-18)13(3)4)17-14(5)9-8-10-15(17)19/h8-10,13,16,20H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine has a molecular weight of 308.90 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 66255685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).