1-cycloheptyl-4-phenylpiperazine

C17H26N2 — CID 2846720

IUPAC1-cycloheptyl-4-phenylpiperazine
SMILESc1ccc(N2CCN(C3CCCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-5-9-16(8-4-1)18-12-14-19(15-13-18)17-10-6-3-7-11-17/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2
InChIKeyQUBRPGLYRRNQGB-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.53
Rot. Bonds2

About 1-cycloheptyl-4-phenylpiperazine

1-cycloheptyl-4-phenylpiperazine (PubChem CID 2846720) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cycloheptyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-cycloheptyl-4-phenylpiperazine
PubChem CID2846720
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-cycloheptyl-4-phenylpiperazine
SMILESc1ccc(N2CCN(C3CCCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-5-9-16(8-4-1)18-12-14-19(15-13-18)17-10-6-3-7-11-17/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2
InChIKeyQUBRPGLYRRNQGB-UHFFFAOYSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
CID 6937921
1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine
CID 124841342
(2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95337645
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
methylcyclohexane;1-phenylpiperidine
CID 174582589
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-phenylpiperazine?
The IUPAC name of 1-cycloheptyl-4-phenylpiperazine (CID 2846720) is 1-cycloheptyl-4-phenylpiperazine.
What is the SMILES notation for 1-cycloheptyl-4-phenylpiperazine?
The canonical SMILES for 1-cycloheptyl-4-phenylpiperazine is c1ccc(N2CCN(C3CCCCCC3)CC2)cc1.
What is the InChIKey of 1-cycloheptyl-4-phenylpiperazine?
The InChIKey is QUBRPGLYRRNQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-5-9-16(8-4-1)18-12-14-19(15-13-18)17-10-6-3-7-11-17/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2.
What are the key properties of 1-cycloheptyl-4-phenylpiperazine?
1-cycloheptyl-4-phenylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-phenylpiperazine is sourced from PubChem (CID 2846720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).