3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine

C18H23N3 — CID 63862974

IUPAC3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine
SMILESCC1CN(C(c2ccccc2)c2ccccn2)CC(C)N1
InChIInChI=1S/C18H23N3/c1-14-12-21(13-15(2)20-14)18(16-8-4-3-5-9-16)17-10-6-7-11-19-17/h3-11,14-15,18,20H,12-13H2,1-2H3
InChIKeyMPRQHHNLIYVFRM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.85
Rot. Bonds3

About 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine

3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine (PubChem CID 63862974) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine
PubChem CID63862974
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine
SMILESCC1CN(C(c2ccccc2)c2ccccn2)CC(C)N1
InChIInChI=1S/C18H23N3/c1-14-12-21(13-15(2)20-14)18(16-8-4-3-5-9-16)17-10-6-7-11-19-17/h3-11,14-15,18,20H,12-13H2,1-2H3
InChIKeyMPRQHHNLIYVFRM-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[phenyl(pyridin-2-yl)methyl]piperidin-4-amine
CID 43130878
2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylacetic acid
CID 83980090
2-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 19370276
1-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324
4-chloro-1-[phenyl(pyridin-2-yl)methyl]pyrrolidin-2-one
CID 168687083
1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4595447
CID 139246866
CID 139246866
2-pyridin-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537050
1-[(4-methylsulfanylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4271286
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
1-[(4-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4266233
ethane;2-(1-phenylethyl)pyridine
CID 143899083

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine (CID 63862974) is 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine is CC1CN(C(c2ccccc2)c2ccccn2)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine?
The InChIKey is MPRQHHNLIYVFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-12-21(13-15(2)20-14)18(16-8-4-3-5-9-16)17-10-6-7-11-19-17/h3-11,14-15,18,20H,12-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine?
3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine has a molecular weight of 281.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine is sourced from PubChem (CID 63862974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).