1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine

C15H29F2N3 — CID 156746068

IUPAC1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N(C)C1CCN([C@H]2CCCC(F)(F)[C@@H]2N)CC1
InChIInChI=1S/C15H29F2N3/c1-11(2)19(3)12-6-9-20(10-7-12)13-5-4-8-15(16,17)14(13)18/h11-14H,4-10,18H2,1-3H3/t13-,14+/m0/s1
InChIKeyMAGAYFORFQQZSW-UONOGXRCSA-N
MW289.41 g/mol
LogP2.31
Rot. Bonds3

About 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine

1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine (PubChem CID 156746068) has the molecular formula C15H29F2N3 and a molecular weight of 289.41 g/mol. Its IUPAC name is 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine
PubChem CID156746068
Molecular FormulaC15H29F2N3
Molecular Weight289.41 g/mol
Exact Mass289.23
IUPAC Name1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N(C)C1CCN([C@H]2CCCC(F)(F)[C@@H]2N)CC1
InChIInChI=1S/C15H29F2N3/c1-11(2)19(3)12-6-9-20(10-7-12)13-5-4-8-15(16,17)14(13)18/h11-14H,4-10,18H2,1-3H3/t13-,14+/m0/s1
InChIKeyMAGAYFORFQQZSW-UONOGXRCSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine (CID 156746068) is 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine is CC(C)N(C)C1CCN([C@H]2CCCC(F)(F)[C@@H]2N)CC1.
What is the InChIKey of 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine?
The InChIKey is MAGAYFORFQQZSW-UONOGXRCSA-N. The full InChI is InChI=1S/C15H29F2N3/c1-11(2)19(3)12-6-9-20(10-7-12)13-5-4-8-15(16,17)14(13)18/h11-14H,4-10,18H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine?
1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine has a molecular weight of 289.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-amino-3,3-difluorocyclohexyl]-N-methyl-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 156746068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).