[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride

C9H18ClF3N2 — CID 119916056

IUPAC[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1CCC(F)(F)F
InChIInChI=1S/C9H17F3N2.ClH/c10-9(11,12)4-6-14-5-2-1-3-8(14)7-13;/h8H,1-7,13H2;1H
InChIKeyNNYFAHKKIGUOAW-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.17
Rot. Bonds3

About [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride

[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119916056) has the molecular formula C9H18ClF3N2 and a molecular weight of 246.70 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
PubChem CID119916056
Molecular FormulaC9H18ClF3N2
Molecular Weight246.70 g/mol
Exact Mass246.11
IUPAC Name[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1CCC(F)(F)F
InChIInChI=1S/C9H17F3N2.ClH/c10-9(11,12)4-6-14-5-2-1-3-8(14)7-13;/h8H,1-7,13H2;1H
InChIKeyNNYFAHKKIGUOAW-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanamine
CID 43187045
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61490445
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine
CID 84685954
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
CID 81493135
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
2-[1-(3,3-difluorobutyl)azepan-2-yl]ethanamine
CID 84697916
[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 103353076
(1-butylazepan-2-yl)methanamine
CID 116640391
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methanamine
CID 112589800

Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride (CID 119916056) is [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1CCC(F)(F)F.
What is the InChIKey of [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is NNYFAHKKIGUOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2.ClH/c10-9(11,12)4-6-14-5-2-1-3-8(14)7-13;/h8H,1-7,13H2;1H.
What are the key properties of [1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride?
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 246.70 g/mol, XLogP of 2.17, 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-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).