N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine

C9H17F3N2 — CID 118527510

IUPACN-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine
SMILESCCC(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-8(9(10,11)12)14-7-3-5-13-6-4-7/h7-8,13-14H,2-6H2,1H3
InChIKeyIHHFTXYZDWOKFK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.67
Rot. Bonds3

About N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine

N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine (PubChem CID 118527510) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine
PubChem CID118527510
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine
SMILESCCC(NC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-8(9(10,11)12)14-7-3-5-13-6-4-7/h7-8,13-14H,2-6H2,1H3
InChIKeyIHHFTXYZDWOKFK-UHFFFAOYSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylpiperidin-4-amine
CID 417391
1-Methyl-4-(methylamino)piperidine
CID 566323
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
N,N-diethylpiperidin-4-amine
CID 2758239
N,N-dipropylpiperidin-4-amine
CID 3824021
2-(Trifluoromethyl)piperidine
CID 11263608
N-(Propan-2-yl)piperidin-4-amine
CID 22394351
1-Butylpiperidin-4-amine
CID 12262820
1-(2,2,2-Trifluoroethyl)piperidin-4-amine
CID 16228722
1-(2,2-Difluoroethyl)-4-piperidinamine
CID 25252389
1-Propylpiperidin-4-amine
CID 541730
N-pentylpiperidin-4-amine
CID 44592820

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine?
The IUPAC name of N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine (CID 118527510) is N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine?
The canonical SMILES for N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine is CCC(NC1CCNCC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine?
The InChIKey is IHHFTXYZDWOKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-8(9(10,11)12)14-7-3-5-13-6-4-7/h7-8,13-14H,2-6H2,1H3.
What are the key properties of N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine?
N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine has a molecular weight of 210.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluorobutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 118527510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).