7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene

C25H30ClN3 — CID 57116597

IUPAC7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene
SMILESClc1ccc(C(c2ccccc2)N2CCN(CCC3=C4CCN3CC4)CC2)cc1
InChIInChI=1S/C25H30ClN3/c26-23-8-6-22(7-9-23)25(21-4-2-1-3-5-21)29-18-16-27(17-19-29)13-12-24-20-10-14-28(24)15-11-20/h1-9,25H,10-19H2
InChIKeyGCIKYVSGKMRQTI-UHFFFAOYSA-N
MW407.99 g/mol
LogP4.80
Rot. Bonds6

About 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene

7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene (PubChem CID 57116597) has the molecular formula C25H30ClN3 and a molecular weight of 407.99 g/mol. Its IUPAC name is 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene.

Molecular Properties

Compound Name7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene
PubChem CID57116597
Molecular FormulaC25H30ClN3
Molecular Weight407.99 g/mol
Exact Mass407.21
IUPAC Name7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene
SMILESClc1ccc(C(c2ccccc2)N2CCN(CCC3=C4CCN3CC4)CC2)cc1
InChIInChI=1S/C25H30ClN3/c26-23-8-6-22(7-9-23)25(21-4-2-1-3-5-21)29-18-16-27(17-19-29)13-12-24-20-10-14-28(24)15-11-20/h1-9,25H,10-19H2
InChIKeyGCIKYVSGKMRQTI-UHFFFAOYSA-N
XLogP4.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene with MolForge

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Related Compounds

1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
CID 10250805
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
CID 19933782
(E)-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 66918222
1-[(4-chlorophenyl)-phenylmethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine;ethane
CID 170602345
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
3-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 139684784
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene?
The IUPAC name of 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene (CID 57116597) is 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene.
What is the SMILES notation for 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene?
The canonical SMILES for 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene is Clc1ccc(C(c2ccccc2)N2CCN(CCC3=C4CCN3CC4)CC2)cc1.
What is the InChIKey of 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene?
The InChIKey is GCIKYVSGKMRQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3/c26-23-8-6-22(7-9-23)25(21-4-2-1-3-5-21)29-18-16-27(17-19-29)13-12-24-20-10-14-28(24)15-11-20/h1-9,25H,10-19H2.
What are the key properties of 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene?
7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene has a molecular weight of 407.99 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]-1-azabicyclo[2.2.1]hept-4(7)-ene is sourced from PubChem (CID 57116597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).