1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine

C17H24F3NO — CID 170589044

IUPAC1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1cc(CN2CCCCC2)cc(C(F)(F)F)c1C(C)C
InChIInChI=1S/C17H24F3NO/c1-12(2)16-14(17(18,19)20)9-13(10-15(16)22-3)11-21-7-5-4-6-8-21/h9-10,12H,4-8,11H2,1-3H3
InChIKeyDHGCPXYFMHTXMV-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.82
Rot. Bonds4

About 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine

1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 170589044) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID170589044
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1cc(CN2CCCCC2)cc(C(F)(F)F)c1C(C)C
InChIInChI=1S/C17H24F3NO/c1-12(2)16-14(17(18,19)20)9-13(10-15(16)22-3)11-21-7-5-4-6-8-21/h9-10,12H,4-8,11H2,1-3H3
InChIKeyDHGCPXYFMHTXMV-UHFFFAOYSA-N
XLogP4.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 170587450
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
CID 166722775
(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171234263
1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168512080
[3,5-dimethoxy-4-(piperidin-1-ylmethyl)phenyl] trifluoromethanesulfonate
CID 58266306
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 10158744
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine (CID 170589044) is 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine is COc1cc(CN2CCCCC2)cc(C(F)(F)F)c1C(C)C.
What is the InChIKey of 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is DHGCPXYFMHTXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-12(2)16-14(17(18,19)20)9-13(10-15(16)22-3)11-21-7-5-4-6-8-21/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine?
1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 315.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 170589044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).