1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine

C18H29N3 — CID 43245867

IUPAC1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
SMILESCc1cccc(N2CCN(CC3CCCNC3)CC2)c1C
InChIInChI=1S/C18H29N3/c1-15-5-3-7-18(16(15)2)21-11-9-20(10-12-21)14-17-6-4-8-19-13-17/h3,5,7,17,19H,4,6,8-14H2,1-2H3
InChIKeyHAUOMVDLJRBZBP-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.43
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine

1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine (PubChem CID 43245867) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
PubChem CID43245867
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
SMILESCc1cccc(N2CCN(CC3CCCNC3)CC2)c1C
InChIInChI=1S/C18H29N3/c1-15-5-3-7-18(16(15)2)21-11-9-20(10-12-21)14-17-6-4-8-19-13-17/h3,5,7,17,19H,4,6,8-14H2,1-2H3
InChIKeyHAUOMVDLJRBZBP-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
CID 120850002
1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715523
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 155975423
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 155980992
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119828393
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119828392
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 120858125
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944951
1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine (CID 43245867) is 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine is Cc1cccc(N2CCN(CC3CCCNC3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine?
The InChIKey is HAUOMVDLJRBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-5-3-7-18(16(15)2)21-11-9-20(10-12-21)14-17-6-4-8-19-13-17/h3,5,7,17,19H,4,6,8-14H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine?
1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine is sourced from PubChem (CID 43245867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).