1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine

C16H16BrF2N — CID 171396789

IUPAC1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(Cc2ccc3c(Br)cccc3c2)CC1
InChIInChI=1S/C16H16BrF2N/c17-15-3-1-2-13-10-12(4-5-14(13)15)11-20-8-6-16(18,19)7-9-20/h1-5,10H,6-9,11H2
InChIKeyJBJPWWYYQHIXSR-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.83
Rot. Bonds2

About 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine

1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine (PubChem CID 171396789) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine
PubChem CID171396789
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(Cc2ccc3c(Br)cccc3c2)CC1
InChIInChI=1S/C16H16BrF2N/c17-15-3-1-2-13-10-12(4-5-14(13)15)11-20-8-6-16(18,19)7-9-20/h1-5,10H,6-9,11H2
InChIKeyJBJPWWYYQHIXSR-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 16216219
2-[(4-Bromophenyl)methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 9998907
2-[(2-Bromophenyl)methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 10451457
Cambridge id 5259116
CID 791409
(E)-N-[(5-bromonaphthalen-1-yl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine
CID 15657404
(1R)-N-[(2-bromophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708687
(1R)-N-[(3-bromophenyl)methyl]-N-methyl-1-(1-naphthyl)ethanamine
CID 72708721
5-bromo-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 138982108
Cambridge id 5267370
CID 1377227
5-bromo-2-(2,2-difluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 138982389
1-[2-bromo-4-(trifluoromethyl)phenyl]-N,N-bis[[2-bromo-4-(trifluoromethyl)phenyl]methyl]methanamine
CID 168346801
1-(1-Bromonaphthalen-2-yl)-n,n-dimethylmethanamine
CID 264952

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine (CID 171396789) is 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine is FC1(F)CCN(Cc2ccc3c(Br)cccc3c2)CC1.
What is the InChIKey of 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine?
The InChIKey is JBJPWWYYQHIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c17-15-3-1-2-13-10-12(4-5-14(13)15)11-20-8-6-16(18,19)7-9-20/h1-5,10H,6-9,11H2.
What are the key properties of 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine?
1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine has a molecular weight of 340.21 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromonaphthalen-2-yl)methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 171396789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).