1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine

C20H30N2 — CID 23142115

IUPAC1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2ccccc2C2=CCCCCC2)CC1
InChIInChI=1S/C20H30N2/c1-2-13-21-14-16-22(17-15-21)20-12-8-7-11-19(20)18-9-5-3-4-6-10-18/h7-9,11-12H,2-6,10,13-17H2,1H3
InChIKeyYSXOHJKUISJUNB-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.57
Rot. Bonds4

About 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine

1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine (PubChem CID 23142115) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine
PubChem CID23142115
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2ccccc2C2=CCCCCC2)CC1
InChIInChI=1S/C20H30N2/c1-2-13-21-14-16-22(17-15-21)20-12-8-7-11-19(20)18-9-5-3-4-6-10-18/h7-9,11-12H,2-6,10,13-17H2,1H3
InChIKeyYSXOHJKUISJUNB-UHFFFAOYSA-N
XLogP4.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine
CID 23141887
1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81217574
1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 20795261
N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964
1-(2-chloro-3-pyridinyl)-4-propylpiperazine
CID 174659885
N-[2-(cyclohexen-1-yl)phenyl]methanimine
CID 146628867
2-nitro-3-(4-propylpiperazin-1-yl)aniline
CID 80756430
1-[2-(bromomethyl)-3-chlorophenyl]-4-propylpiperazine
CID 107079569
1-[2-(4,4-diethylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine;hydrochloride
CID 23142965
1-propyl-4-(1H-pyrrol-2-yl)piperazine
CID 57288510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine?
The IUPAC name of 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine (CID 23142115) is 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine?
The canonical SMILES for 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine is CCCN1CCN(c2ccccc2C2=CCCCCC2)CC1.
What is the InChIKey of 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine?
The InChIKey is YSXOHJKUISJUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-2-13-21-14-16-22(17-15-21)20-12-8-7-11-19(20)18-9-5-3-4-6-10-18/h7-9,11-12H,2-6,10,13-17H2,1H3.
What are the key properties of 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine?
1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine has a molecular weight of 298.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohepten-1-yl)phenyl]-4-propylpiperazine is sourced from PubChem (CID 23142115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).