1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine

C18H30N2 — CID 83995173

IUPAC1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCC(C)(C)C)C2)cc1C
InChIInChI=1S/C18H30N2/c1-14-8-9-17(11-15(14)2)20-10-6-7-16(12-20)19-13-18(3,4)5/h8-9,11,16,19H,6-7,10,12-13H2,1-5H3
InChIKeyARZFLDWWFZPZHG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine

1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine (PubChem CID 83995173) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
PubChem CID83995173
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCC(C)(C)C)C2)cc1C
InChIInChI=1S/C18H30N2/c1-14-8-9-17(11-15(14)2)20-10-6-7-16(12-20)19-13-18(3,4)5/h8-9,11,16,19H,6-7,10,12-13H2,1-5H3
InChIKeyARZFLDWWFZPZHG-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
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

1-(3,4-dimethylphenyl)-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]piperidin-3-amine
CID 167199968
N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 64855894
1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
CID 65437234
1-(3,4-dimethylphenyl)-5-methyl-N-propylpiperidin-3-amine
CID 83991093
N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83993100
4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile
CID 146105794
1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine
CID 65475550
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
2-[[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004666

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine (CID 83995173) is 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine is Cc1ccc(N2CCCC(NCC(C)(C)C)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine?
The InChIKey is ARZFLDWWFZPZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-8-9-17(11-15(14)2)20-10-6-7-16(12-20)19-13-18(3,4)5/h8-9,11,16,19H,6-7,10,12-13H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine?
1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine is sourced from PubChem (CID 83995173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).