1-tert-butyl-4-(fluoromethyl)piperidin-4-amine

C10H21FN2 — CID 115017655

IUPAC1-tert-butyl-4-(fluoromethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(N)(CF)CC1
InChIInChI=1S/C10H21FN2/c1-9(2,3)13-6-4-10(12,8-11)5-7-13/h4-8,12H2,1-3H3
InChIKeyVLAHCFWSCJFSRW-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.55
Rot. Bonds1

About 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine

1-tert-butyl-4-(fluoromethyl)piperidin-4-amine (PubChem CID 115017655) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-4-(fluoromethyl)piperidin-4-amine
PubChem CID115017655
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-tert-butyl-4-(fluoromethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(N)(CF)CC1
InChIInChI=1S/C10H21FN2/c1-9(2,3)13-6-4-10(12,8-11)5-7-13/h4-8,12H2,1-3H3
InChIKeyVLAHCFWSCJFSRW-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine
CID 6484201
1-tert-Butylpiperidin-4-amine
CID 17750401
N,N,4-trimethylpiperidin-4-amine dihydrochloride
CID 57481577
1,4-Dimethylpiperidin-4-amine dihydrochloride
CID 75415550
1-Methyl-4-(trifluoromethyl)piperidin-4-amine dihydrochloride
CID 75524992
4-(aminomethyl)-1-ethyl-N,N-dimethylpiperidin-4-amine
CID 9161436
1-Ethyl-4-(trifluoromethyl)piperidin-4-amine dihydrochloride
CID 119057017
1,4-Dimethylpiperidin-4-amine
CID 20585721
1-[1-(2-Fluoroethyl)piperidin-4-yl]methanamine
CID 23391790
N-chloro-4-(4,4-difluoro-1-methylpiperidin-1-ium-1-yl)-2-methylbutan-2-amine;chloride
CID 49785057
N-chloro-4-(4,4-difluoro-1-methylpiperidin-1-ium-1-yl)-2-methylbutan-2-amine
CID 49785058

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine (CID 115017655) is 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine is CC(C)(C)N1CCC(N)(CF)CC1.
What is the InChIKey of 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine?
The InChIKey is VLAHCFWSCJFSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-9(2,3)13-6-4-10(12,8-11)5-7-13/h4-8,12H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine?
1-tert-butyl-4-(fluoromethyl)piperidin-4-amine has a molecular weight of 188.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(fluoromethyl)piperidin-4-amine is sourced from PubChem (CID 115017655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).