2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine

C17H26N2S — CID 119931929

IUPAC2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine
SMILESCC1SCCN(CC2CCNCC2)C1c1ccccc1
InChIInChI=1S/C17H26N2S/c1-14-17(16-5-3-2-4-6-16)19(11-12-20-14)13-15-7-9-18-10-8-15/h2-6,14-15,17-18H,7-13H2,1H3
InChIKeyBSMCORQUGSZHNB-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine

2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine (PubChem CID 119931929) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine
PubChem CID119931929
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine
SMILESCC1SCCN(CC2CCNCC2)C1c1ccccc1
InChIInChI=1S/C17H26N2S/c1-14-17(16-5-3-2-4-6-16)19(11-12-20-14)13-15-7-9-18-10-8-15/h2-6,14-15,17-18H,7-13H2,1H3
InChIKeyBSMCORQUGSZHNB-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 142590703
1-benzyl-N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperidin-4-amine
CID 142590729
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 142590731
N-benzyl-1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperidin-4-amine
CID 155769422
N-[(4-methylsulfanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride
CID 6602722
(2R)-N-benzyl-3-cyclohexyl-2-[(3S)-4-(3-methylbutyl)-3-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 156016315
2H-1,3-Thiazine, tetrahydro-2-phenyl-
CID 97990
3-Phenylthiomorpholine
CID 4685153
N-[[(4R)-2-phenyl-1,3-thiazolidin-4-yl]methyl]hexadecan-1-amine
CID 46231971
7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane
CID 146049
Piperidine, 1-(4-phenyltetrahydro-2H-thiopyran-4-yl)-, hydrochloride
CID 210771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine?
The IUPAC name of 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine (CID 119931929) is 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine.
What is the SMILES notation for 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine?
The canonical SMILES for 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine is CC1SCCN(CC2CCNCC2)C1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine?
The InChIKey is BSMCORQUGSZHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-14-17(16-5-3-2-4-6-16)19(11-12-20-14)13-15-7-9-18-10-8-15/h2-6,14-15,17-18H,7-13H2,1H3.
What are the key properties of 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine?
2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine has a molecular weight of 290.48 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-4-(piperidin-4-ylmethyl)thiomorpholine is sourced from PubChem (CID 119931929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).