1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine

C11H25F2N3 — CID 162386735

IUPAC1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine
SMILESCCN(C)C.CNCN1CCC(F)(F)CC1
InChIInChI=1S/C7H14F2N2.C4H11N/c1-10-6-11-4-2-7(8,9)3-5-11;1-4-5(2)3/h10H,2-6H2,1H3;4H2,1-3H3
InChIKeyPZBJVSXAPGNXJW-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.46
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine

1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine (PubChem CID 162386735) has the molecular formula C11H25F2N3 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine
PubChem CID162386735
Molecular FormulaC11H25F2N3
Molecular Weight237.34 g/mol
Exact Mass237.20
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine
SMILESCCN(C)C.CNCN1CCC(F)(F)CC1
InChIInChI=1S/C7H14F2N2.C4H11N/c1-10-6-11-4-2-7(8,9)3-5-11;1-4-5(2)3/h10H,2-6H2,1H3;4H2,1-3H3
InChIKeyPZBJVSXAPGNXJW-UHFFFAOYSA-N
XLogP1.46
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine (CID 162386735) is 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine is CCN(C)C.CNCN1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine?
The InChIKey is PZBJVSXAPGNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2.C4H11N/c1-10-6-11-4-2-7(8,9)3-5-11;1-4-5(2)3/h10H,2-6H2,1H3;4H2,1-3H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine?
1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine has a molecular weight of 237.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine is sourced from PubChem (CID 162386735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).