N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine

C17H28N2O — CID 114507320

IUPACN,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCCNC1CCN(Cc2ccc(OC)cc2)CC1CC
InChIInChI=1S/C17H28N2O/c1-4-15-13-19(11-10-17(15)18-5-2)12-14-6-8-16(20-3)9-7-14/h6-9,15,17-18H,4-5,10-13H2,1-3H3
InChIKeyJOFPPAPWOSBGET-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds6

About N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine

N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 114507320) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID114507320
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCCNC1CCN(Cc2ccc(OC)cc2)CC1CC
InChIInChI=1S/C17H28N2O/c1-4-15-13-19(11-10-17(15)18-5-2)12-14-6-8-16(20-3)9-7-14/h6-9,15,17-18H,4-5,10-13H2,1-3H3
InChIKeyJOFPPAPWOSBGET-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 114507529
[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol
CID 114507523
1-(2,3-dihydro-1H-inden-5-ylmethyl)-N,3-diethylpiperidin-4-amine
CID 114507373
N,3-diethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 114507392
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride
CID 175654410
N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980706
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
(3R,4S)-3-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 97026929
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine (CID 114507320) is N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine is CCNC1CCN(Cc2ccc(OC)cc2)CC1CC.
What is the InChIKey of N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is JOFPPAPWOSBGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15-13-19(11-10-17(15)18-5-2)12-14-6-8-16(20-3)9-7-14/h6-9,15,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine?
N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 114507320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).