1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine

C20H27N3O — CID 175660271

IUPAC1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
SMILESCc1ncccc1CN1CCNCC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-15(2)24-19-8-6-17(7-9-19)20-13-21-11-12-23(20)14-18-5-4-10-22-16(18)3/h4-10,15,20-21H,11-14H2,1-3H3
InChIKeyLWGNNJIPDBFDEB-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.32
Rot. Bonds5

About 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine

1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine (PubChem CID 175660271) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
PubChem CID175660271
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
SMILESCc1ncccc1CN1CCNCC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-15(2)24-19-8-6-17(7-9-19)20-13-21-11-12-23(20)14-18-5-4-10-22-16(18)3/h4-10,15,20-21H,11-14H2,1-3H3
InChIKeyLWGNNJIPDBFDEB-UHFFFAOYSA-N
XLogP3.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 124944321
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 175660267
1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659582
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659920
2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine
CID 68594980
2-(4-ethylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120769097
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120754669
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine (CID 175660271) is 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine is Cc1ncccc1CN1CCNCC1c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
The InChIKey is LWGNNJIPDBFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(2)24-19-8-6-17(7-9-19)20-13-21-11-12-23(20)14-18-5-4-10-22-16(18)3/h4-10,15,20-21H,11-14H2,1-3H3.
What are the key properties of 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine?
1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine has a molecular weight of 325.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 175660271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).