2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine

C18H27ClN2 — CID 64862053

IUPAC2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
SMILESCC(C)(C)C1CNC(C2CC2)CN1Cc1ccccc1Cl
InChIInChI=1S/C18H27ClN2/c1-18(2,3)17-10-20-16(13-8-9-13)12-21(17)11-14-6-4-5-7-15(14)19/h4-7,13,16-17,20H,8-12H2,1-3H3
InChIKeyXVAQFWMKRVRHLN-UHFFFAOYSA-N
MW306.88 g/mol
LogP3.94
Rot. Bonds3

About 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine

2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine (PubChem CID 64862053) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
PubChem CID64862053
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
SMILESCC(C)(C)C1CNC(C2CC2)CN1Cc1ccccc1Cl
InChIInChI=1S/C18H27ClN2/c1-18(2,3)17-10-20-16(13-8-9-13)12-21(17)11-14-6-4-5-7-15(14)19/h4-7,13,16-17,20H,8-12H2,1-3H3
InChIKeyXVAQFWMKRVRHLN-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-2,5-dicyclopropylpiperazine
CID 64860320
2-tert-butyl-1-[(3-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64861094
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839733
2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
CID 107310522
5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
CID 107310519
5-tert-butyl-1-[(2-chlorophenyl)methyl]-2-methylpiperazine
CID 64842975
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914
2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 102879656
2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
CID 64861095
1-butyl-2-tert-butyl-5-cyclopropylpiperazine
CID 64861474
5-cyclopropyl-2-methyl-1-(naphthalen-1-ylmethyl)piperazine
CID 64860475
2-tert-butyl-1-[(2-fluorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839634

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine (CID 64862053) is 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine is CC(C)(C)C1CNC(C2CC2)CN1Cc1ccccc1Cl.
What is the InChIKey of 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine?
The InChIKey is XVAQFWMKRVRHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-18(2,3)17-10-20-16(13-8-9-13)12-21(17)11-14-6-4-5-7-15(14)19/h4-7,13,16-17,20H,8-12H2,1-3H3.
What are the key properties of 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine?
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine has a molecular weight of 306.88 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine is sourced from PubChem (CID 64862053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).