4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C18H25F3N2 — CID 27267003

IUPAC4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25F3N2/c19-18(20,21)16-6-4-15(5-7-16)14-22-12-8-17(9-13-22)23-10-2-1-3-11-23/h4-7,17H,1-3,8-14H2
InChIKeyUBOCWKZJKVWXEI-UHFFFAOYSA-N
MW326.41 g/mol
LogP4.16
Rot. Bonds3

About 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 27267003) has the molecular formula C18H25F3N2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID27267003
Molecular FormulaC18H25F3N2
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H25F3N2/c19-18(20,21)16-6-4-15(5-7-16)14-22-12-8-17(9-13-22)23-10-2-1-3-11-23/h4-7,17H,1-3,8-14H2
InChIKeyUBOCWKZJKVWXEI-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
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CID 52878093
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
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1-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 118131567
1-piperidin-1-ylsulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 78843482
2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyethanamine
CID 82689141
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
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CID 46976904

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 27267003) is 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(CN2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is UBOCWKZJKVWXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2/c19-18(20,21)16-6-4-15(5-7-16)14-22-12-8-17(9-13-22)23-10-2-1-3-11-23/h4-7,17H,1-3,8-14H2.
What are the key properties of 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 326.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 27267003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).