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

C18H29ClN2 — CID 64839619

IUPAC2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine
SMILESCCC(C)C1CNC(C(C)C)CN1Cc1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-5-14(4)18-10-20-17(13(2)3)12-21(18)11-15-8-6-7-9-16(15)19/h6-9,13-14,17-18,20H,5,10-12H2,1-4H3
InChIKeyBJQALPKYBGMKBX-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.18
Rot. Bonds5

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

2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine (PubChem CID 64839619) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine
PubChem CID64839619
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine
SMILESCCC(C)C1CNC(C(C)C)CN1Cc1ccccc1Cl
InChIInChI=1S/C18H29ClN2/c1-5-14(4)18-10-20-17(13(2)3)12-21(18)11-15-8-6-7-9-16(15)19/h6-9,13-14,17-18,20H,5,10-12H2,1-4H3
InChIKeyBJQALPKYBGMKBX-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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Related Compounds

1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64837878
2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 64840780
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
CID 64843293
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
CID 64841935
2-ethyl-1-[(2-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64831533
1-[(3-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 102862470
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine (CID 64839619) is 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine is CCC(C)C1CNC(C(C)C)CN1Cc1ccccc1Cl.
What is the InChIKey of 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is BJQALPKYBGMKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-5-14(4)18-10-20-17(13(2)3)12-21(18)11-15-8-6-7-9-16(15)19/h6-9,13-14,17-18,20H,5,10-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine?
2-butan-2-yl-1-[(2-chlorophenyl)methyl]-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 2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).