N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C17H28N2O2 — CID 79700398

IUPACN-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cc(OC)cc(OC)c1)CC1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-4-19(12-14-5-7-18-8-6-14)13-15-9-16(20-2)11-17(10-15)21-3/h9-11,14,18H,4-8,12-13H2,1-3H3
InChIKeyONDJVAWNZYQRJP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.53
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79700398) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79700398
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cc(OC)cc(OC)c1)CC1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-4-19(12-14-5-7-18-8-6-14)13-15-9-16(20-2)11-17(10-15)21-3/h9-11,14,18H,4-8,12-13H2,1-3H3
InChIKeyONDJVAWNZYQRJP-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716481
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716550
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117377205

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79700398) is N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1cc(OC)cc(OC)c1)CC1CCNCC1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is ONDJVAWNZYQRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-19(12-14-5-7-18-8-6-14)13-15-9-16(20-2)11-17(10-15)21-3/h9-11,14,18H,4-8,12-13H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79700398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).