1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine

C15H27F3N2 — CID 81045404

IUPAC1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
SMILESCC(CCN1CCCC(C(F)(F)F)C1)C1CCCNC1
InChIInChI=1S/C15H27F3N2/c1-12(13-4-2-7-19-10-13)6-9-20-8-3-5-14(11-20)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyKEWQHQSBPRJCNE-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.29
Rot. Bonds4

About 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine

1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine (PubChem CID 81045404) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
PubChem CID81045404
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
SMILESCC(CCN1CCCC(C(F)(F)F)C1)C1CCCNC1
InChIInChI=1S/C15H27F3N2/c1-12(13-4-2-7-19-10-13)6-9-20-8-3-5-14(11-20)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyKEWQHQSBPRJCNE-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-piperidin-3-ylbutyl)-4-(trifluoromethyl)piperidine
CID 81045481
N,N-dimethyl-1-(3-piperidin-3-ylbutyl)piperidin-3-amine
CID 81045799
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
CID 81045800
3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
CID 81047442
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine (CID 81045404) is 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine is CC(CCN1CCCC(C(F)(F)F)C1)C1CCCNC1.
What is the InChIKey of 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine?
The InChIKey is KEWQHQSBPRJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-12(13-4-2-7-19-10-13)6-9-20-8-3-5-14(11-20)15(16,17)18/h12-14,19H,2-11H2,1H3.
What are the key properties of 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine?
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine has a molecular weight of 292.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 81045404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).