N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine

C23H38N2OS — CID 25374699

IUPACN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine
SMILESCOc1ccccc1CN1CCC(CN(CC(C)C)C2CCSCC2)CC1
InChIInChI=1S/C23H38N2OS/c1-19(2)16-25(22-10-14-27-15-11-22)17-20-8-12-24(13-9-20)18-21-6-4-5-7-23(21)26-3/h4-7,19-20,22H,8-18H2,1-3H3
InChIKeyCODABNIDYTXPHY-UHFFFAOYSA-N
MW390.64 g/mol
LogP4.76
Rot. Bonds8

About N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine

N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine (PubChem CID 25374699) has the molecular formula C23H38N2OS and a molecular weight of 390.64 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine
PubChem CID25374699
Molecular FormulaC23H38N2OS
Molecular Weight390.64 g/mol
Exact Mass390.27
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine
SMILESCOc1ccccc1CN1CCC(CN(CC(C)C)C2CCSCC2)CC1
InChIInChI=1S/C23H38N2OS/c1-19(2)16-25(22-10-14-27-15-11-22)17-20-8-12-24(13-9-20)18-21-6-4-5-7-23(21)26-3/h4-7,19-20,22H,8-18H2,1-3H3
InChIKeyCODABNIDYTXPHY-UHFFFAOYSA-N
XLogP4.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.64
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 72865460
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 45173004
(E)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-enamide
CID 42199295
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 42522390
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512223
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 42458350
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 25378961
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylacetamide
CID 42190581
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine (CID 25374699) is N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine is COc1ccccc1CN1CCC(CN(CC(C)C)C2CCSCC2)CC1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine?
The InChIKey is CODABNIDYTXPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2OS/c1-19(2)16-25(22-10-14-27-15-11-22)17-20-8-12-24(13-9-20)18-21-6-4-5-7-23(21)26-3/h4-7,19-20,22H,8-18H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine?
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine has a molecular weight of 390.64 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-(2-methylpropyl)thian-4-amine is sourced from PubChem (CID 25374699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).