[4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione

C14H20N2S — CID 691988

IUPAC[4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione
SMILESCN(C)c1ccc(C(=S)N2CCCCC2)cc1
InChIInChI=1S/C14H20N2S/c1-15(2)13-8-6-12(7-9-13)14(17)16-10-4-3-5-11-16/h6-9H,3-5,10-11H2,1-2H3
InChIKeyNXLJWTIDBNNMJC-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.91
Rot. Bonds2

About [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione

[4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione (PubChem CID 691988) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione
PubChem CID691988
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name[4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione
SMILESCN(C)c1ccc(C(=S)N2CCCCC2)cc1
InChIInChI=1S/C14H20N2S/c1-15(2)13-8-6-12(7-9-13)14(17)16-10-4-3-5-11-16/h6-9H,3-5,10-11H2,1-2H3
InChIKeyNXLJWTIDBNNMJC-UHFFFAOYSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione?
The IUPAC name of [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione (CID 691988) is [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione.
What is the SMILES notation for [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione?
The canonical SMILES for [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione is CN(C)c1ccc(C(=S)N2CCCCC2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione?
The InChIKey is NXLJWTIDBNNMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-15(2)13-8-6-12(7-9-13)14(17)16-10-4-3-5-11-16/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione?
[4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione has a molecular weight of 248.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-piperidin-1-ylmethanethione is sourced from PubChem (CID 691988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).