1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane

C21H30ClN3 — CID 142144009

IUPAC1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane
SMILESCCC.CCN1CCN(C(c2ccc(Cl)cc2)c2ccccn2)CC1
InChIInChI=1S/C18H22ClN3.C3H8/c1-2-21-11-13-22(14-12-21)18(17-5-3-4-10-20-17)15-6-8-16(19)9-7-15;1-3-2/h3-10,18H,2,11-14H2,1H3;3H2,1-2H3
InChIKeyZIOJVBMFTIFQRV-UHFFFAOYSA-N
MW359.95 g/mol
LogP4.88
Rot. Bonds4

About 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane

1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane (PubChem CID 142144009) has the molecular formula C21H30ClN3 and a molecular weight of 359.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane
PubChem CID142144009
Molecular FormulaC21H30ClN3
Molecular Weight359.95 g/mol
Exact Mass359.21
IUPAC Name1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane
SMILESCCC.CCN1CCN(C(c2ccc(Cl)cc2)c2ccccn2)CC1
InChIInChI=1S/C18H22ClN3.C3H8/c1-2-21-11-13-22(14-12-21)18(17-5-3-4-10-20-17)15-6-8-16(19)9-7-15;1-3-2/h3-10,18H,2,11-14H2,1H3;3H2,1-2H3
InChIKeyZIOJVBMFTIFQRV-UHFFFAOYSA-N
XLogP4.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.95
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-(1H-imidazol-5-ylmethyl)-4-[(4-methylphenyl)-pyridin-2-ylmethyl]piperazine
CID 160811197
2-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 19370276
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine
CID 10294153
3-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 5056524
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
4-[[4-[(E)-5-methyl-6-[[(E)-2-methylbut-1-enyl]amino]hex-5-enyl]piperazin-1-yl]-pyridin-2-ylmethyl]phenol
CID 142143994
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070
2-[(4-chlorophenyl)-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-4-(1H-imidazol-5-ylmethyl)piperazine
CID 157420167
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane?
The IUPAC name of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane (CID 142144009) is 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane.
What is the SMILES notation for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane?
The canonical SMILES for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane is CCC.CCN1CCN(C(c2ccc(Cl)cc2)c2ccccn2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane?
The InChIKey is ZIOJVBMFTIFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3.C3H8/c1-2-21-11-13-22(14-12-21)18(17-5-3-4-10-20-17)15-6-8-16(19)9-7-15;1-3-2/h3-10,18H,2,11-14H2,1H3;3H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane?
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane has a molecular weight of 359.95 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane is sourced from PubChem (CID 142144009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).