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

C18H29ClN2 — CID 64837878

IUPAC1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C(C)C)CN1Cc1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-13(2)9-16-10-20-18(14(3)4)12-21(16)11-15-7-5-6-8-17(15)19/h5-8,13-14,16,18,20H,9-12H2,1-4H3
InChIKeyGPFDMFBILUDFRC-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.18
Rot. Bonds5

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

1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine (PubChem CID 64837878) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
PubChem CID64837878
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C(C)C)CN1Cc1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-13(2)9-16-10-20-18(14(3)4)12-21(16)11-15-7-5-6-8-17(15)19/h5-8,13-14,16,18,20H,9-12H2,1-4H3
InChIKeyGPFDMFBILUDFRC-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine (CID 64837878) is 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine is CC(C)CC1CNC(C(C)C)CN1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The InChIKey is GPFDMFBILUDFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-13(2)9-16-10-20-18(14(3)4)12-21(16)11-15-7-5-6-8-17(15)19/h5-8,13-14,16,18,20H,9-12H2,1-4H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine has a molecular weight of 308.90 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64837878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).