[4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione

C15H22N2S — CID 2210475

IUPAC[4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione
SMILESCC1CCN(C(=S)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C15H22N2S/c1-12-8-10-17(11-9-12)15(18)13-4-6-14(7-5-13)16(2)3/h4-7,12H,8-11H2,1-3H3
InChIKeyJFXJZFHPBYCODG-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.16
Rot. Bonds2

About [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione

[4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione (PubChem CID 2210475) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione
PubChem CID2210475
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name[4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione
SMILESCC1CCN(C(=S)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C15H22N2S/c1-12-8-10-17(11-9-12)15(18)13-4-6-14(7-5-13)16(2)3/h4-7,12H,8-11H2,1-3H3
InChIKeyJFXJZFHPBYCODG-UHFFFAOYSA-N
XLogP3.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.16
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]-(4-methylpiperidin-1-yl)methanethione?
The IUPAC name of [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione (CID 2210475) is [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione?
The canonical SMILES for [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione is CC1CCN(C(=S)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione?
The InChIKey is JFXJZFHPBYCODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-12-8-10-17(11-9-12)15(18)13-4-6-14(7-5-13)16(2)3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione?
[4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione has a molecular weight of 262.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(4-methylpiperidin-1-yl)methanethione is sourced from PubChem (CID 2210475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).