(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine

C9H18F2N2 — CID 83854892

IUPAC(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine
SMILESCC(C)N1CCC(F)(F)C(CN)C1
InChIInChI=1S/C9H18F2N2/c1-7(2)13-4-3-9(10,11)8(5-12)6-13/h7-8H,3-6,12H2,1-2H3
InChIKeyZLWFSTCUDMKSBQ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds2

About (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine

(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine (PubChem CID 83854892) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine
PubChem CID83854892
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine
SMILESCC(C)N1CCC(F)(F)C(CN)C1
InChIInChI=1S/C9H18F2N2/c1-7(2)13-4-3-9(10,11)8(5-12)6-13/h7-8H,3-6,12H2,1-2H3
InChIKeyZLWFSTCUDMKSBQ-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611
1,3-Dimethylpiperidin-4-amine
CID 23008883
3-(3-Methylpiperidin-1-yl)propan-1-amine
CID 33069
(1-Ethylpiperidin-3-yl)methanamine
CID 5200272
[(1-Isobutylpiperidin-3-yl)methyl]amine
CID 24274799
1-ethyl-N,3-dimethylpiperidin-4-amine
CID 54595021
(4,4-Difluoro-1-methylpiperidin-3-yl)methanamine
CID 83854893
(1-(2,2-Difluoroethyl)piperidin-4-yl)methanamine
CID 60922938
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine?
The IUPAC name of (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine (CID 83854892) is (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine.
What is the SMILES notation for (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine?
The canonical SMILES for (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine is CC(C)N1CCC(F)(F)C(CN)C1.
What is the InChIKey of (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine?
The InChIKey is ZLWFSTCUDMKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7(2)13-4-3-9(10,11)8(5-12)6-13/h7-8H,3-6,12H2,1-2H3.
What are the key properties of (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine?
(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-propan-2-ylpiperidin-3-yl)methanamine is sourced from PubChem (CID 83854892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).