3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine

C16H26N2O — CID 81456953

IUPAC3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc(COC)cc2)CCC1N
InChIInChI=1S/C16H26N2O/c1-3-15-11-18(9-8-16(15)17)10-13-4-6-14(7-5-13)12-19-2/h4-7,15-16H,3,8-12,17H2,1-2H3
InChIKeyDTHZZDPJWUJNJV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.39
Rot. Bonds5

About 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine

3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 81456953) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
PubChem CID81456953
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc(COC)cc2)CCC1N
InChIInChI=1S/C16H26N2O/c1-3-15-11-18(9-8-16(15)17)10-13-4-6-14(7-5-13)12-19-2/h4-7,15-16H,3,8-12,17H2,1-2H3
InChIKeyDTHZZDPJWUJNJV-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81457828
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
CID 81457170
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375
4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792832
1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine
CID 114453815
3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine
CID 81457613
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 81460638
ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
CID 155582592
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 81450320

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine (CID 81456953) is 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine is CCC1CN(Cc2ccc(COC)cc2)CCC1N.
What is the InChIKey of 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is DTHZZDPJWUJNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15-11-18(9-8-16(15)17)10-13-4-6-14(7-5-13)12-19-2/h4-7,15-16H,3,8-12,17H2,1-2H3.
What are the key properties of 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine?
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 81456953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).