N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride

C14H21ClF3N3S — CID 120841624

IUPACN-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CN2CCC(NCC3CC3)CC2)s1
InChIInChI=1S/C14H20F3N3S.ClH/c15-14(16,17)13-19-8-12(21-13)9-20-5-3-11(4-6-20)18-7-10-1-2-10;/h8,10-11,18H,1-7,9H2;1H
InChIKeyRNMLWZUCYHVKQF-UHFFFAOYSA-N
MW355.86 g/mol
LogP3.55
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride (PubChem CID 120841624) has the molecular formula C14H21ClF3N3S and a molecular weight of 355.86 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
PubChem CID120841624
Molecular FormulaC14H21ClF3N3S
Molecular Weight355.86 g/mol
Exact Mass355.11
IUPAC NameN-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCl.FC(F)(F)c1ncc(CN2CCC(NCC3CC3)CC2)s1
InChIInChI=1S/C14H20F3N3S.ClH/c15-14(16,17)13-19-8-12(21-13)9-20-5-3-11(4-6-20)18-7-10-1-2-10;/h8,10-11,18H,1-7,9H2;1H
InChIKeyRNMLWZUCYHVKQF-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride (CID 120841624) is N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride is Cl.FC(F)(F)c1ncc(CN2CCC(NCC3CC3)CC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The InChIKey is RNMLWZUCYHVKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3S.ClH/c15-14(16,17)13-19-8-12(21-13)9-20-5-3-11(4-6-20)18-7-10-1-2-10;/h8,10-11,18H,1-7,9H2;1H.
What are the key properties of N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride has a molecular weight of 355.86 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120841624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).