1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine

C17H27N3 — CID 117436770

IUPAC1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
SMILESc1ccc(CN2CCCC2)c(CCN2CCNCC2)c1
InChIInChI=1S/C17H27N3/c1-2-6-17(15-20-10-3-4-11-20)16(5-1)7-12-19-13-8-18-9-14-19/h1-2,5-6,18H,3-4,7-15H2
InChIKeyOWJFWBAIKSTBBP-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine

1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine (PubChem CID 117436770) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
PubChem CID117436770
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
SMILESc1ccc(CN2CCCC2)c(CCN2CCNCC2)c1
InChIInChI=1S/C17H27N3/c1-2-6-17(15-20-10-3-4-11-20)16(5-1)7-12-19-13-8-18-9-14-19/h1-2,5-6,18H,3-4,7-15H2
InChIKeyOWJFWBAIKSTBBP-UHFFFAOYSA-N
XLogP1.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117492854
1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
CID 84701976
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[(2-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride
CID 47000648
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
CID 117408812
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
CID 117379674

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine (CID 117436770) is 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine is c1ccc(CN2CCCC2)c(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine?
The InChIKey is OWJFWBAIKSTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-6-17(15-20-10-3-4-11-20)16(5-1)7-12-19-13-8-18-9-14-19/h1-2,5-6,18H,3-4,7-15H2.
What are the key properties of 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine?
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine has a molecular weight of 273.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117436770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).