N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine

C16H26N2OS — CID 114628355

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine
SMILESCOc1ccc(CN(C)CCSC2CCNCC2)cc1
InChIInChI=1S/C16H26N2OS/c1-18(11-12-20-16-7-9-17-10-8-16)13-14-3-5-15(19-2)6-4-14/h3-6,16-17H,7-13H2,1-2H3
InChIKeyBBGAYQTUHVDSQB-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.61
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine

N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine (PubChem CID 114628355) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine
PubChem CID114628355
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine
SMILESCOc1ccc(CN(C)CCSC2CCNCC2)cc1
InChIInChI=1S/C16H26N2OS/c1-18(11-12-20-16-7-9-17-10-8-16)13-14-3-5-15(19-2)6-4-14/h3-6,16-17H,7-13H2,1-2H3
InChIKeyBBGAYQTUHVDSQB-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylethanamine
CID 114628337
N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide
CID 61029723
N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine
CID 114628277
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913713
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 170567610
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 65421567
N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
CID 114628366
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine (CID 114628355) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine is COc1ccc(CN(C)CCSC2CCNCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine?
The InChIKey is BBGAYQTUHVDSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-18(11-12-20-16-7-9-17-10-8-16)13-14-3-5-15(19-2)6-4-14/h3-6,16-17H,7-13H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine has a molecular weight of 294.46 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine is sourced from PubChem (CID 114628355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).