[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine

C9H17F3N2 — CID 18678579

IUPAC[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h8H,1-7,13H2
InChIKeyWEXNUMMSIPWAEW-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.61
Rot. Bonds3

About [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine

[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine (PubChem CID 18678579) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine
PubChem CID18678579
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h8H,1-7,13H2
InChIKeyWEXNUMMSIPWAEW-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-4-methylamine
CID 81574
4-(Trifluoromethyl)piperidine
CID 136469
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
Dimethyl(2-(piperidin-4-yl)ethyl)amine
CID 1415681
4-(2-Diethylaminoethyl)piperidine
CID 296294
2-(1-Ethylpiperidin-4-yl)ethan-1-amine
CID 21643902
[1-(3-Methylbutyl)piperidin-4-yl]methanamine
CID 24274890
(1-Ethylpiperidin-4-yl)methanamine
CID 2794704
(1-Propylpiperidin-4-yl)methanamine
CID 3164324
4-(4-Methylpiperidin-1-yl)butan-1-amine
CID 7138415
4-Aminomethyl-1-N-butylpiperidine
CID 10442133
4-(Dimethylaminomethyl)piperidine
CID 11137268

Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine (CID 18678579) is [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine is NCC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine?
The InChIKey is WEXNUMMSIPWAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h8H,1-7,13H2.
What are the key properties of [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine?
[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine has a molecular weight of 210.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 18678579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).