N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine

C17H28N2O — CID 105346947

IUPACN-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(CN2CCC(OC)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-18-11-8-15-4-6-16(7-5-15)14-19-12-9-17(20-2)10-13-19/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyLTGCJYPTDCZGNO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds7

About N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine

N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine (PubChem CID 105346947) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine
PubChem CID105346947
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(CN2CCC(OC)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-18-11-8-15-4-6-16(7-5-15)14-19-12-9-17(20-2)10-13-19/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyLTGCJYPTDCZGNO-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methylbenzyl)piperazine
CID 764723
1-(4-Ethylbenzyl)piperazine
CID 769677
1-((4-(Propan-2-yl)phenyl)methyl)piperazine
CID 2574844
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
4-(3-Aminopropoxy)-1-benzylpiperidine
CID 18425738
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
3-morpholino-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 46937405
1-[(4-Octylphenyl)methyl]piperidin-4-ol
CID 72735265
1-{[2-(Aminomethyl)phenyl]methyl}piperidin-4-ol
CID 16786116
2-(4-Methylphenyl)piperidine
CID 3020568
[4-(Morpholin-4-ylmethyl)phenyl]methanamine
CID 2795501
(4-Benzylmorpholin-2-ylmethyl)methylamine
CID 51358399

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine (CID 105346947) is N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine is CCNCCc1ccc(CN2CCC(OC)CC2)cc1.
What is the InChIKey of N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is LTGCJYPTDCZGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-11-8-15-4-6-16(7-5-15)14-19-12-9-17(20-2)10-13-19/h4-7,17-18H,3,8-14H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine?
N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 105346947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).