(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine

C16H18BrNO — CID 26190840

IUPAC(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
SMILESBrc1c(OC[C@@H]2CCCNC2)ccc2ccccc12
InChIInChI=1S/C16H18BrNO/c17-16-14-6-2-1-5-13(14)7-8-15(16)19-11-12-4-3-9-18-10-12/h1-2,5-8,12,18H,3-4,9-11H2/t12-/m1/s1
InChIKeyHCOXBKMTQNDQBU-GFCCVEGCSA-N
MW320.23 g/mol
LogP3.98
Rot. Bonds3

About (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine

(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine (PubChem CID 26190840) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
PubChem CID26190840
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
SMILESBrc1c(OC[C@@H]2CCCNC2)ccc2ccccc12
InChIInChI=1S/C16H18BrNO/c17-16-14-6-2-1-5-13(14)7-8-15(16)19-11-12-4-3-9-18-10-12/h1-2,5-8,12,18H,3-4,9-11H2/t12-/m1/s1
InChIKeyHCOXBKMTQNDQBU-GFCCVEGCSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid
CID 170886806
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
CID 86322131
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine
CID 56830685
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine?
The IUPAC name of (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine (CID 26190840) is (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine.
What is the SMILES notation for (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine?
The canonical SMILES for (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine is Brc1c(OC[C@@H]2CCCNC2)ccc2ccccc12.
What is the InChIKey of (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine?
The InChIKey is HCOXBKMTQNDQBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-16-14-6-2-1-5-13(14)7-8-15(16)19-11-12-4-3-9-18-10-12/h1-2,5-8,12,18H,3-4,9-11H2/t12-/m1/s1.
What are the key properties of (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine?
(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine has a molecular weight of 320.23 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 26190840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).