1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C18H29ClN2 — CID 64946846

IUPAC1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C(C)c2ccc(Cl)cc2)C(C(C)C)CN1
InChIInChI=1S/C18H29ClN2/c1-6-18(5)12-21(17(11-20-18)13(2)3)14(4)15-7-9-16(19)10-8-15/h7-10,13-14,17,20H,6,11-12H2,1-5H3
InChIKeyMETOEYICAIVOSD-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds4

About 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64946846) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64946846
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C(C)c2ccc(Cl)cc2)C(C(C)C)CN1
InChIInChI=1S/C18H29ClN2/c1-6-18(5)12-21(17(11-20-18)13(2)3)14(4)15-7-9-16(19)10-8-15/h7-10,13-14,17,20H,6,11-12H2,1-5H3
InChIKeyMETOEYICAIVOSD-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Meclizine
CID 4034
Chlorcyclizine Hydrochloride
CID 62413
Norchlorcyclizine
CID 9340
Clobenzorex
CID 735998
4-chloro-N-cyclopentylbenzylamine
CID 834083
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
1-(3-Chlorobenzyl)piperazine
CID 764727
Clocinizine
CID 5375618
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 64946846) is 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(C(C)c2ccc(Cl)cc2)C(C(C)C)CN1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is METOEYICAIVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-6-18(5)12-21(17(11-20-18)13(2)3)14(4)15-7-9-16(19)10-8-15/h7-10,13-14,17,20H,6,11-12H2,1-5H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64946846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).