1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine

C16H26N2O — CID 61168104

IUPAC1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
SMILESCc1ccc(OCC(C)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-13-4-6-16(7-5-13)19-12-14(2)17-15-8-10-18(3)11-9-15/h4-7,14-15,17H,8-12H2,1-3H3
InChIKeyILBFPLBIDMEWPH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds5

About 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine

1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine (PubChem CID 61168104) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
PubChem CID61168104
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
SMILESCc1ccc(OCC(C)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-13-4-6-16(7-5-13)19-12-14(2)17-15-8-10-18(3)11-9-15/h4-7,14-15,17H,8-12H2,1-3H3
InChIKeyILBFPLBIDMEWPH-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

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Related Compounds

N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 81333951
4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
CID 106594454
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
CID 61166947
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
1-(2,2-difluoroethyl)-N-[1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 75427712
1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 97321883
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030
N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine
CID 65070598

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine (CID 61168104) is 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine is Cc1ccc(OCC(C)NC2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine?
The InChIKey is ILBFPLBIDMEWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-4-6-16(7-5-13)19-12-14(2)17-15-8-10-18(3)11-9-15/h4-7,14-15,17H,8-12H2,1-3H3.
What are the key properties of 1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine?
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]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-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 61168104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).