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

C18H32N2O — CID 144962995

IUPACN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
SMILESCC.Cc1ccc(OCCN(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O.C2H6/c1-14-4-6-16(7-5-14)19-13-12-18(3)15-8-10-17(2)11-9-15;1-2/h4-7,15H,8-13H2,1-3H3;1-2H3
InChIKeyAUMJYUPSBVHNSU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.43
Rot. Bonds5

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

N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane (PubChem CID 144962995) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
PubChem CID144962995
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
SMILESCC.Cc1ccc(OCCN(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O.C2H6/c1-14-4-6-16(7-5-14)19-13-12-18(3)15-8-10-17(2)11-9-15;1-2/h4-7,15H,8-13H2,1-3H3;1-2H3
InChIKeyAUMJYUPSBVHNSU-UHFFFAOYSA-N
XLogP3.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine
CID 43253521
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
CID 43607235
4-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 20985865
3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxy]benzonitrile
CID 43288713
N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
CID 144963079
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine
CID 91829662
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
1-methyl-3-[(4-methylphenoxy)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 108892852
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane?
The IUPAC name of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane (CID 144962995) is N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane.
What is the SMILES notation for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane?
The canonical SMILES for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane is CC.Cc1ccc(OCCN(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane?
The InChIKey is AUMJYUPSBVHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C2H6/c1-14-4-6-16(7-5-14)19-13-12-18(3)15-8-10-17(2)11-9-15;1-2/h4-7,15H,8-13H2,1-3H3;1-2H3.
What are the key properties of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane?
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane has a molecular weight of 292.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane is sourced from PubChem (CID 144962995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).