1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine

C14H20Cl2N2O2S — CID 119978340

IUPAC1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-17-9-11-4-6-18(7-5-11)21(19,20)10-12-2-3-13(15)14(16)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyCBIKHNSGJIMCAF-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.75
Rot. Bonds5

About 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 119978340) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID119978340
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-17-9-11-4-6-18(7-5-11)21(19,20)10-12-2-3-13(15)14(16)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyCBIKHNSGJIMCAF-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine (CID 119978340) is 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is CBIKHNSGJIMCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-17-9-11-4-6-18(7-5-11)21(19,20)10-12-2-3-13(15)14(16)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 351.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 119978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).