1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine

C16H26N2O — CID 81334394

IUPAC1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
SMILESCc1cccc(OCCNC2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-4-6-16(11-13)19-10-8-17-15-7-9-18(3)14(2)12-15/h4-6,11,14-15,17H,7-10,12H2,1-3H3
InChIKeyTYVWRYMQOQLPIY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds5

About 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine

1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine (PubChem CID 81334394) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
PubChem CID81334394
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
SMILESCc1cccc(OCCNC2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-13-5-4-6-16(11-13)19-10-8-17-15-7-9-18(3)14(2)12-15/h4-6,11,14-15,17H,7-10,12H2,1-3H3
InChIKeyTYVWRYMQOQLPIY-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659459
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381
2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
CID 106662415
1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 81302152
(3S,5S)-3,5-dimethyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium
CID 7410808
N-[3-(cyclopropylmethoxy)propyl]-1,2-dimethylpiperidin-4-amine
CID 81301163
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
CID 107094111
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine (CID 81334394) is 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine is Cc1cccc(OCCNC2CCN(C)C(C)C2)c1.
What is the InChIKey of 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine?
The InChIKey is TYVWRYMQOQLPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-4-6-16(11-13)19-10-8-17-15-7-9-18(3)14(2)12-15/h4-6,11,14-15,17H,7-10,12H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine?
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 81334394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).