1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C17H27ClN2 — CID 64934684

IUPAC1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2cccc(Cl)c2C)C(C(C)C)CN1
InChIInChI=1S/C17H27ClN2/c1-6-17(5)11-20(16(10-19-17)12(2)3)15-9-7-8-14(18)13(15)4/h7-9,12,16,19H,6,10-11H2,1-5H3
InChIKeyDDUKSEZGDQDJIT-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64934684) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64934684
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2cccc(Cl)c2C)C(C(C)C)CN1
InChIInChI=1S/C17H27ClN2/c1-6-17(5)11-20(16(10-19-17)12(2)3)15-9-7-8-14(18)13(15)4/h7-9,12,16,19H,6,10-11H2,1-5H3
InChIKeyDDUKSEZGDQDJIT-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
2-Mepp
CID 91965
1-Benzyl-4-(3-chlorophenyl)piperazine
CID 413525
N-(5-Chloro-2-methylphenyl)piperazine
CID 693767
1-(o-Tolyl)piperazine Hydrochloride
CID 12227895
2-[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]ethanamine
CID 3237236
1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine
CID 2845469
(4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 29943048
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 883553
1-[3-(3-Chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 883576
N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004
N-(3-Chloro-P-tolyl)-4-methylbenzylamine
CID 292905

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 64934684) is 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(c2cccc(Cl)c2C)C(C(C)C)CN1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is DDUKSEZGDQDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-6-17(5)11-20(16(10-19-17)12(2)3)15-9-7-8-14(18)13(15)4/h7-9,12,16,19H,6,10-11H2,1-5H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64934684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).