1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine

C16H26N2OS — CID 170638485

IUPAC1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine
SMILESCCOCC1CN(Cc2ccccc2)CCC1NSC
InChIInChI=1S/C16H26N2OS/c1-3-19-13-15-12-18(10-9-16(15)17-20-2)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3
InChIKeyHPQUMPGSBUPIDR-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.78
Rot. Bonds7

About 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine

1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine (PubChem CID 170638485) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine
PubChem CID170638485
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine
SMILESCCOCC1CN(Cc2ccccc2)CCC1NSC
InChIInChI=1S/C16H26N2OS/c1-3-19-13-15-12-18(10-9-16(15)17-20-2)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3
InChIKeyHPQUMPGSBUPIDR-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947
N-[(3S,4S)-1-benzyl-3-[[4-(difluoromethoxy)phenoxy]methyl]piperidin-4-yl]ethanesulfonamide
CID 70818310
(3S)-1-benzylpyrrolidine-3-carbaldehyde;ethyl formate
CID 142014962
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
CID 6488319

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine?
The IUPAC name of 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine (CID 170638485) is 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine is CCOCC1CN(Cc2ccccc2)CCC1NSC.
What is the InChIKey of 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine?
The InChIKey is HPQUMPGSBUPIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-19-13-15-12-18(10-9-16(15)17-20-2)11-14-7-5-4-6-8-14/h4-8,15-17H,3,9-13H2,1-2H3.
What are the key properties of 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine?
1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine has a molecular weight of 294.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(ethoxymethyl)-N-methylsulfanylpiperidin-4-amine is sourced from PubChem (CID 170638485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).