N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine

C16H26N2 — CID 83990215

IUPACN,1-diethyl-5-(3-methylphenyl)piperidin-3-amine
SMILESCCNC1CC(c2cccc(C)c2)CN(CC)C1
InChIInChI=1S/C16H26N2/c1-4-17-16-10-15(11-18(5-2)12-16)14-8-6-7-13(3)9-14/h6-9,15-17H,4-5,10-12H2,1-3H3
InChIKeyONWUQPUBQXHCJY-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.78
Rot. Bonds4

About N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine

N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine (PubChem CID 83990215) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN,1-diethyl-5-(3-methylphenyl)piperidin-3-amine
PubChem CID83990215
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,1-diethyl-5-(3-methylphenyl)piperidin-3-amine
SMILESCCNC1CC(c2cccc(C)c2)CN(CC)C1
InChIInChI=1S/C16H26N2/c1-4-17-16-10-15(11-18(5-2)12-16)14-8-6-7-13(3)9-14/h6-9,15-17H,4-5,10-12H2,1-3H3
InChIKeyONWUQPUBQXHCJY-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-cyclohexyl-1-ethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83999044
1-ethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 61039134
1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994200
N,1-dimethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83989556
2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile
CID 83991978
1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine
CID 83990850
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
2-[3-(ethylamino)-5-phenylpiperidin-1-yl]ethanol
CID 83990743
1-cyclopropyl-N-ethyl-5-phenylpiperidin-3-amine
CID 83990517
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104527000

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine?
The IUPAC name of N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine (CID 83990215) is N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine.
What is the SMILES notation for N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine?
The canonical SMILES for N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine is CCNC1CC(c2cccc(C)c2)CN(CC)C1.
What is the InChIKey of N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine?
The InChIKey is ONWUQPUBQXHCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-17-16-10-15(11-18(5-2)12-16)14-8-6-7-13(3)9-14/h6-9,15-17H,4-5,10-12H2,1-3H3.
What are the key properties of N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine?
N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 83990215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).