1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine

C18H22ClN3 — CID 134055122

IUPAC1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESCC(c1ccccc1Cl)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H22ClN3/c1-15(17-7-2-3-8-18(17)19)22-12-10-21(11-13-22)14-16-6-4-5-9-20-16/h2-9,15H,10-14H2,1H3
InChIKeySKAQNMAMXYKVPC-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.61
Rot. Bonds4

About 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine

1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 134055122) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID134055122
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESCC(c1ccccc1Cl)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H22ClN3/c1-15(17-7-2-3-8-18(17)19)22-12-10-21(11-13-22)14-16-6-4-5-9-20-16/h2-9,15H,10-14H2,1H3
InChIKeySKAQNMAMXYKVPC-UHFFFAOYSA-N
XLogP3.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine
CID 124593115
[3-[[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752661
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-[3-(2-chlorophenyl)sulfanylpropyl]-4-(pyridin-2-ylmethyl)piperazine
CID 56509108
3-chloro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19627843
(E)-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 87024440
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666961
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 134060036

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine (CID 134055122) is 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine is CC(c1ccccc1Cl)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is SKAQNMAMXYKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-15(17-7-2-3-8-18(17)19)22-12-10-21(11-13-22)14-16-6-4-5-9-20-16/h2-9,15H,10-14H2,1H3.
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 315.85 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 134055122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).