3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine

C17H28N2 — CID 64831824

IUPAC3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCNC(C(C)C)C2)cc1
InChIInChI=1S/C17H28N2/c1-13(2)16-7-5-15(6-8-16)11-19-10-9-18-17(12-19)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKeyADWPTRBTCPLQQM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.24
Rot. Bonds4

About 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine

3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 64831824) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID64831824
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCNC(C(C)C)C2)cc1
InChIInChI=1S/C17H28N2/c1-13(2)16-7-5-15(6-8-16)11-19-10-9-18-17(12-19)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKeyADWPTRBTCPLQQM-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64833210
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
4-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid
CID 45073220
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64954315
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
CID 64952393
1-[(4-bromophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64857060
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
CID 92978714
1-[(4-bromo-2-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 113471566
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine (CID 64831824) is 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine is CC(C)c1ccc(CN2CCNC(C(C)C)C2)cc1.
What is the InChIKey of 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is ADWPTRBTCPLQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)16-7-5-15(6-8-16)11-19-10-9-18-17(12-19)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3.
What are the key properties of 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine?
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 64831824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).