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

C17H28N2O — CID 114507529

IUPACN,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
SMILESCCNC1CCN(Cc2cccc(OC)c2)CC1CC
InChIInChI=1S/C17H28N2O/c1-4-15-13-19(10-9-17(15)18-5-2)12-14-7-6-8-16(11-14)20-3/h6-8,11,15,17-18H,4-5,9-10,12-13H2,1-3H3
InChIKeyPBNKXCZQDWIMMA-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds6

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

N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 114507529) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID114507529
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
SMILESCCNC1CCN(Cc2cccc(OC)c2)CC1CC
InChIInChI=1S/C17H28N2O/c1-4-15-13-19(10-9-17(15)18-5-2)12-14-7-6-8-16(11-14)20-3/h6-8,11,15,17-18H,4-5,9-10,12-13H2,1-3H3
InChIKeyPBNKXCZQDWIMMA-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-[(4-methoxyphenyl)methyl]piperidin-4-amine
CID 114507320
N,3-diethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 114507392
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
1-(2,3-dihydro-1H-inden-5-ylmethyl)-N,3-diethylpiperidin-4-amine
CID 114507373
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine
CID 79396800
[4-[[3-ethyl-4-(ethylamino)piperidin-1-yl]methyl]phenyl]methanol
CID 114507523
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine
CID 166244914
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine (CID 114507529) is N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine is CCNC1CCN(Cc2cccc(OC)c2)CC1CC.
What is the InChIKey of N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is PBNKXCZQDWIMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15-13-19(10-9-17(15)18-5-2)12-14-7-6-8-16(11-14)20-3/h6-8,11,15,17-18H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine?
N,3-diethyl-1-[(3-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-[(3-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 114507529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).