1-methyl-4-(3-piperidin-2-ylphenyl)piperazine

C16H25N3 — CID 117403033

IUPAC1-methyl-4-(3-piperidin-2-ylphenyl)piperazine
SMILESCN1CCN(c2cccc(C3CCCCN3)c2)CC1
InChIInChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)15-6-4-5-14(13-15)16-7-2-3-8-17-16/h4-6,13,16-17H,2-3,7-12H2,1H3
InChIKeyARYAIGJPDYIKQF-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.25
Rot. Bonds2

About 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine

1-methyl-4-(3-piperidin-2-ylphenyl)piperazine (PubChem CID 117403033) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-piperidin-2-ylphenyl)piperazine
PubChem CID117403033
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-methyl-4-(3-piperidin-2-ylphenyl)piperazine
SMILESCN1CCN(c2cccc(C3CCCCN3)c2)CC1
InChIInChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)15-6-4-5-14(13-15)16-7-2-3-8-17-16/h4-6,13,16-17H,2-3,7-12H2,1H3
InChIKeyARYAIGJPDYIKQF-UHFFFAOYSA-N
XLogP2.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
2-methyl-1-(3-piperidin-2-ylphenyl)pyrazolidin-3-one
CID 117402530
(2R)-2-(3-methylphenyl)azepane
CID 7048257
1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine
CID 118900458
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
(2R)-2-(3-ethenylphenyl)piperidine
CID 131060850
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431747
(2S)-2-phenylpiperidine
CID 10997356
1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one
CID 117436394
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine?
The IUPAC name of 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine (CID 117403033) is 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine is CN1CCN(c2cccc(C3CCCCN3)c2)CC1.
What is the InChIKey of 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine?
The InChIKey is ARYAIGJPDYIKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)15-6-4-5-14(13-15)16-7-2-3-8-17-16/h4-6,13,16-17H,2-3,7-12H2,1H3.
What are the key properties of 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine?
1-methyl-4-(3-piperidin-2-ylphenyl)piperazine has a molecular weight of 259.40 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-piperidin-2-ylphenyl)piperazine is sourced from PubChem (CID 117403033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).