4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine

C17H26N2S — CID 171326906

IUPAC4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine
SMILESCc1ccc(CN2CCC(N3CCSCC3)CC2)cc1
InChIInChI=1S/C17H26N2S/c1-15-2-4-16(5-3-15)14-18-8-6-17(7-9-18)19-10-12-20-13-11-19/h2-5,17H,6-14H2,1H3
InChIKeyNKDNCIAVCOTKCG-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.01
Rot. Bonds3

About 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine

4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine (PubChem CID 171326906) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine
PubChem CID171326906
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine
SMILESCc1ccc(CN2CCC(N3CCSCC3)CC2)cc1
InChIInChI=1S/C17H26N2S/c1-15-2-4-16(5-3-15)14-18-8-6-17(7-9-18)19-10-12-20-13-11-19/h2-5,17H,6-14H2,1H3
InChIKeyNKDNCIAVCOTKCG-UHFFFAOYSA-N
XLogP3.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]benzonitrile
CID 171335414
1-[(4-methylphenyl)methyl]-5-thiomorpholin-4-ylazepan-2-one
CID 45225865
2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 3589308
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171335538
1-[(2E)-5-ethenyl-3-methylhepta-2,4,6-trien-2-yl]-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]piperazine
CID 143279696
1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine
CID 655238
1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine (CID 171326906) is 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine is Cc1ccc(CN2CCC(N3CCSCC3)CC2)cc1.
What is the InChIKey of 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine?
The InChIKey is NKDNCIAVCOTKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-15-2-4-16(5-3-15)14-18-8-6-17(7-9-18)19-10-12-20-13-11-19/h2-5,17H,6-14H2,1H3.
What are the key properties of 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine?
4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine has a molecular weight of 290.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 171326906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).