3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine

C18H30N2 — CID 83982751

IUPAC3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine
SMILESCc1ccc(CN2CCCC(CC(C)CN)C2)cc1C
InChIInChI=1S/C18H30N2/c1-14(11-19)9-17-5-4-8-20(12-17)13-18-7-6-15(2)16(3)10-18/h6-7,10,14,17H,4-5,8-9,11-13,19H2,1-3H3
InChIKeyIQQRBHLVWPXMNB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.50
Rot. Bonds5

About 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine

3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine (PubChem CID 83982751) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine
PubChem CID83982751
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine
SMILESCc1ccc(CN2CCCC(CC(C)CN)C2)cc1C
InChIInChI=1S/C18H30N2/c1-14(11-19)9-17-5-4-8-20(12-17)13-18-7-6-15(2)16(3)10-18/h6-7,10,14,17H,4-5,8-9,11-13,19H2,1-3H3
InChIKeyIQQRBHLVWPXMNB-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478616
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982741
1-[[1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 56753999
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486
1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 83982714
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 124614437
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983238
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
CID 83982592
2-methyl-3-[1-[(4-methylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 83982703

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine (CID 83982751) is 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine is Cc1ccc(CN2CCCC(CC(C)CN)C2)cc1C.
What is the InChIKey of 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine?
The InChIKey is IQQRBHLVWPXMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(11-19)9-17-5-4-8-20(12-17)13-18-7-6-15(2)16(3)10-18/h6-7,10,14,17H,4-5,8-9,11-13,19H2,1-3H3.
What are the key properties of 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine?
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 83982751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).