3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine

C18H28N2 — CID 120858125

IUPAC3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
SMILESCc1ccc(C2CCN(CC3CCCNC3)C2)c(C)c1
InChIInChI=1S/C18H28N2/c1-14-5-6-18(15(2)10-14)17-7-9-20(13-17)12-16-4-3-8-19-11-16/h5-6,10,16-17,19H,3-4,7-9,11-13H2,1-2H3
InChIKeyRRTOJWKKNCFHSV-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.09
Rot. Bonds3

About 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine

3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine (PubChem CID 120858125) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
PubChem CID120858125
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
SMILESCc1ccc(C2CCN(CC3CCCNC3)C2)c(C)c1
InChIInChI=1S/C18H28N2/c1-14-5-6-18(15(2)10-14)17-7-9-20(13-17)12-16-4-3-8-19-11-16/h5-6,10,16-17,19H,3-4,7-9,11-13H2,1-2H3
InChIKeyRRTOJWKKNCFHSV-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)piperidine
CID 10535662
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
CID 43245867
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
1-cyclopentyl-4-(2,4-dimethylphenyl)piperidine
CID 145201181
7-(2,4-dimethylphenyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 123592991
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine (CID 120858125) is 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine is Cc1ccc(C2CCN(CC3CCCNC3)C2)c(C)c1.
What is the InChIKey of 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine?
The InChIKey is RRTOJWKKNCFHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-5-6-18(15(2)10-14)17-7-9-20(13-17)12-16-4-3-8-19-11-16/h5-6,10,16-17,19H,3-4,7-9,11-13H2,1-2H3.
What are the key properties of 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine?
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 120858125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).