methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate

C15H26F3N3O2 — CID 75500546

IUPACmethyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H26F3N3O2/c1-23-14(22)21-9-4-13(5-10-21)19-12-2-7-20(8-3-12)11-6-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyWTQIDUYZQMEAMO-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.22
Rot. Bonds4

About methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate

methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 75500546) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID75500546
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Namemethyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H26F3N3O2/c1-23-14(22)21-9-4-13(5-10-21)19-12-2-7-20(8-3-12)11-6-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyWTQIDUYZQMEAMO-UHFFFAOYSA-N
XLogP2.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 110021852
methyl 4-[[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 86842409
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 97347162
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
methyl 4-(thiolan-3-ylamino)piperidine-1-carboxylate
CID 115674399
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
1-(3,3,3-trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
CID 79605681
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate (CID 75500546) is methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC2CCN(CCC(F)(F)F)CC2)CC1.
What is the InChIKey of methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is WTQIDUYZQMEAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-23-14(22)21-9-4-13(5-10-21)19-12-2-7-20(8-3-12)11-6-15(16,17)18/h12-13,19H,2-11H2,1H3.
What are the key properties of methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate?
methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 337.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 75500546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).