1-[2-(4-propan-2-ylphenyl)propyl]piperazine

C16H26N2 — CID 82295556

IUPAC1-[2-(4-propan-2-ylphenyl)propyl]piperazine
SMILESCC(C)c1ccc(C(C)CN2CCNCC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)15-4-6-16(7-5-15)14(3)12-18-10-8-17-9-11-18/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyWNFYWQHJYQGBGR-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-(4-propan-2-ylphenyl)propyl]piperazine

1-[2-(4-propan-2-ylphenyl)propyl]piperazine (PubChem CID 82295556) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)propyl]piperazine
PubChem CID82295556
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[2-(4-propan-2-ylphenyl)propyl]piperazine
SMILESCC(C)c1ccc(C(C)CN2CCNCC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)15-4-6-16(7-5-15)14(3)12-18-10-8-17-9-11-18/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyWNFYWQHJYQGBGR-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylphenyl)propyl]piperazine
CID 82289918
1-[2-(4-bromophenyl)propyl]-1,4-diazepane
CID 82094588
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
CID 120834349
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
1-[2-(3-methylphenyl)propyl]piperazine
CID 82509212
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole
CID 116996220
N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
CID 115229953
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
1-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane
CID 82086321
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)propyl]piperazine?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)propyl]piperazine (CID 82295556) is 1-[2-(4-propan-2-ylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)propyl]piperazine?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)propyl]piperazine is CC(C)c1ccc(C(C)CN2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)propyl]piperazine?
The InChIKey is WNFYWQHJYQGBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-4-6-16(7-5-15)14(3)12-18-10-8-17-9-11-18/h4-7,13-14,17H,8-12H2,1-3H3.
What are the key properties of 1-[2-(4-propan-2-ylphenyl)propyl]piperazine?
1-[2-(4-propan-2-ylphenyl)propyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)propyl]piperazine is sourced from PubChem (CID 82295556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).