[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine

C15H24N2O — CID 54793651

IUPAC[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
SMILESCCOc1ccccc1CN1CCC(CN)CC1
InChIInChI=1S/C15H24N2O/c1-2-18-15-6-4-3-5-14(15)12-17-9-7-13(11-16)8-10-17/h3-6,13H,2,7-12,16H2,1H3
InChIKeyOLDBYISZCVRLHO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds5

About [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine

[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 54793651) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
PubChem CID54793651
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
SMILESCCOc1ccccc1CN1CCC(CN)CC1
InChIInChI=1S/C15H24N2O/c1-2-18-15-6-4-3-5-14(15)12-17-9-7-13(11-16)8-10-17/h3-6,13H,2,7-12,16H2,1H3
InChIKeyOLDBYISZCVRLHO-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959752
[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909783
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
3-[[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381460
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
N-(2-bromophenyl)-1-[(2-ethoxyphenyl)methyl]piperidin-4-amine
CID 4568305
N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
CID 54794563

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine (CID 54793651) is [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine is CCOc1ccccc1CN1CCC(CN)CC1.
What is the InChIKey of [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is OLDBYISZCVRLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-18-15-6-4-3-5-14(15)12-17-9-7-13(11-16)8-10-17/h3-6,13H,2,7-12,16H2,1H3.
What are the key properties of [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine?
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 54793651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).