1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine

C17H32F2N2 — CID 170953457

IUPAC1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine
SMILESCCN1CCC(NC2(C)CCC(C(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C17H32F2N2/c1-5-21-11-8-15(17(18,19)12-21)20-16(4)9-6-14(7-10-16)13(2)3/h13-15,20H,5-12H2,1-4H3
InChIKeyLHQYNHGSPFARSR-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.91
Rot. Bonds4

About 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine

1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine (PubChem CID 170953457) has the molecular formula C17H32F2N2 and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine
PubChem CID170953457
Molecular FormulaC17H32F2N2
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine
SMILESCCN1CCC(NC2(C)CCC(C(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C17H32F2N2/c1-5-21-11-8-15(17(18,19)12-21)20-16(4)9-6-14(7-10-16)13(2)3/h13-15,20H,5-12H2,1-4H3
InChIKeyLHQYNHGSPFARSR-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine (CID 170953457) is 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine is CCN1CCC(NC2(C)CCC(C(C)C)CC2)C(F)(F)C1.
What is the InChIKey of 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine?
The InChIKey is LHQYNHGSPFARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2/c1-5-21-11-8-15(17(18,19)12-21)20-16(4)9-6-14(7-10-16)13(2)3/h13-15,20H,5-12H2,1-4H3.
What are the key properties of 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine?
1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)piperidin-4-amine is sourced from PubChem (CID 170953457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).