N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine

C18H30N2O — CID 63980069

IUPACN-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
SMILESCOCC1CCN(Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C18H30N2O/c1-15(2)19-12-17-5-4-6-18(11-17)13-20-9-7-16(8-10-20)14-21-3/h4-6,11,15-16,19H,7-10,12-14H2,1-3H3
InChIKeyWKGUZYYJBWHYOD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.04
Rot. Bonds7

About N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine

N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine (PubChem CID 63980069) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
PubChem CID63980069
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
SMILESCOCC1CCN(Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C18H30N2O/c1-15(2)19-12-17-5-4-6-18(11-17)13-20-9-7-16(8-10-20)14-21-3/h4-6,11,15-16,19H,7-10,12-14H2,1-3H3
InChIKeyWKGUZYYJBWHYOD-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62426943
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]boronic acid
CID 63972357
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
3-(methoxymethyl)-N'-methyl-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111737427
1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
CID 99937518
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 84745879
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 64599126

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine (CID 63980069) is N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine is COCC1CCN(Cc2cccc(CNC(C)C)c2)CC1.
What is the InChIKey of N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is WKGUZYYJBWHYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)19-12-17-5-4-6-18(11-17)13-20-9-7-16(8-10-20)14-21-3/h4-6,11,15-16,19H,7-10,12-14H2,1-3H3.
What are the key properties of N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine?
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63980069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).