5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine

C18H28N2 — CID 64860473

IUPAC5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CC(C3CC3)NCC2C)cc1
InChIInChI=1S/C18H28N2/c1-13(2)16-6-4-15(5-7-16)11-20-12-18(17-8-9-17)19-10-14(20)3/h4-7,13-14,17-19H,8-12H2,1-3H3
InChIKeyQYKXADQDPCPOMJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.38
Rot. Bonds4

About 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine

5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 64860473) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID64860473
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CC(C3CC3)NCC2C)cc1
InChIInChI=1S/C18H28N2/c1-13(2)16-6-4-15(5-7-16)11-20-12-18(17-8-9-17)19-10-14(20)3/h4-7,13-14,17-19H,8-12H2,1-3H3
InChIKeyQYKXADQDPCPOMJ-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864
5-cyclopropyl-2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64862206
3-ethyl-7-methyl-1-[(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 64869642
[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
CID 54989394
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827
5-cyclopropyl-2-methyl-1-(naphthalen-1-ylmethyl)piperazine
CID 64860475
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 58659507
5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64939610
1-[(3-chlorophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870253

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine (CID 64860473) is 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine is CC(C)c1ccc(CN2CC(C3CC3)NCC2C)cc1.
What is the InChIKey of 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is QYKXADQDPCPOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)16-6-4-15(5-7-16)11-20-12-18(17-8-9-17)19-10-14(20)3/h4-7,13-14,17-19H,8-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 64860473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).