1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine

C17H28N2 — CID 83991093

IUPAC1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine
SMILESCCCNC1CC(C)CN(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H28N2/c1-5-8-18-16-9-13(2)11-19(12-16)17-7-6-14(3)15(4)10-17/h6-7,10,13,16,18H,5,8-9,11-12H2,1-4H3
InChIKeyOPSFEXCCXGKWJA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine

1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine (PubChem CID 83991093) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine
PubChem CID83991093
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine
SMILESCCCNC1CC(C)CN(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H28N2/c1-5-8-18-16-9-13(2)11-19(12-16)17-7-6-14(3)15(4)10-17/h6-7,10,13,16,18H,5,8-9,11-12H2,1-4H3
InChIKeyOPSFEXCCXGKWJA-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,4-dimethylphenyl)-5-methylpiperidin-3-yl]-2-methylpropanamide
CID 112542777
N-[[4-(3,5-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62136029
N-ethyl-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83990440
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
1-(3,4-difluorophenyl)-N,5-dimethylpiperidin-3-amine
CID 83989825
1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
CID 83995173
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167
1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine
CID 129258259
1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine
CID 83990912
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83996532

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine (CID 83991093) is 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine is CCCNC1CC(C)CN(c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine?
The InChIKey is OPSFEXCCXGKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-8-18-16-9-13(2)11-19(12-16)17-7-6-14(3)15(4)10-17/h6-7,10,13,16,18H,5,8-9,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine?
1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine is sourced from PubChem (CID 83991093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).