1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine

C15H22ClN3 — CID 93022446

IUPAC1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
SMILESClc1ccccc1N1CCN(C[C@@H]2CCCN2)CC1
InChIInChI=1S/C15H22ClN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)12-13-4-3-7-17-13/h1-2,5-6,13,17H,3-4,7-12H2/t13-/m0/s1
InChIKeyYVZOBKQLCZYARB-ZDUSSCGKSA-N
MW279.81 g/mol
LogP2.21
Rot. Bonds3

About 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine

1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine (PubChem CID 93022446) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
PubChem CID93022446
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
SMILESClc1ccccc1N1CCN(C[C@@H]2CCCN2)CC1
InChIInChI=1S/C15H22ClN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)12-13-4-3-7-17-13/h1-2,5-6,13,17H,3-4,7-12H2/t13-/m0/s1
InChIKeyYVZOBKQLCZYARB-ZDUSSCGKSA-N
XLogP2.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 93355113
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 104870238
1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
1-(2-chlorophenyl)-4-methyl-1,5-diazocane
CID 117014582
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]azepane
CID 64569761
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]azepane
CID 64569763
2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106636550
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 164916943
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054113

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine (CID 93022446) is 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine is Clc1ccccc1N1CCN(C[C@@H]2CCCN2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine?
The InChIKey is YVZOBKQLCZYARB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)12-13-4-3-7-17-13/h1-2,5-6,13,17H,3-4,7-12H2/t13-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine?
1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine has a molecular weight of 279.81 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine is sourced from PubChem (CID 93022446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).