2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine

C17H21N3 — CID 64845242

IUPAC2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCC1(c2ccccc2)CNCCN1Cc1cccnc1
InChIInChI=1S/C17H21N3/c1-17(16-7-3-2-4-8-16)14-19-10-11-20(17)13-15-6-5-9-18-12-15/h2-9,12,19H,10-11,13-14H2,1H3
InChIKeyBVDFGKPYAPJUJJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine

2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64845242) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64845242
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCC1(c2ccccc2)CNCCN1Cc1cccnc1
InChIInChI=1S/C17H21N3/c1-17(16-7-3-2-4-8-16)14-19-10-11-20(17)13-15-6-5-9-18-12-15/h2-9,12,19H,10-11,13-14H2,1H3
InChIKeyBVDFGKPYAPJUJJ-UHFFFAOYSA-N
XLogP2.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-methyl-2-phenylpiperazine
CID 64844450
1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine
CID 64847016
2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde
CID 89480328
1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine
CID 64846824
2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 117014799
8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877587
3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 117023878
8,8-diethyl-6-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64860083
2-methyl-2-phenyl-1-propan-2-ylpiperazine
CID 64845830
2,2-dimethyl-1-[(4-phenylphenyl)methyl]piperazine
CID 65462302
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
CID 66069619

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine (CID 64845242) is 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine is CC1(c2ccccc2)CNCCN1Cc1cccnc1.
What is the InChIKey of 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is BVDFGKPYAPJUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-17(16-7-3-2-4-8-16)14-19-10-11-20(17)13-15-6-5-9-18-12-15/h2-9,12,19H,10-11,13-14H2,1H3.
What are the key properties of 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine?
2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 267.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64845242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).