(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine

C13H18BrNO — CID 35754092

IUPAC(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
SMILESBrc1ccc(COC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C13H18BrNO/c14-13-5-3-11(4-6-13)9-16-10-12-2-1-7-15-8-12/h3-6,12,15H,1-2,7-10H2/t12-/m1/s1
InChIKeyIBWRVTGYAMPRFC-GFCCVEGCSA-N
MW284.20 g/mol
LogP2.97
Rot. Bonds4

About (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine

(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine (PubChem CID 35754092) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
PubChem CID35754092
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
SMILESBrc1ccc(COC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C13H18BrNO/c14-13-5-3-11(4-6-13)9-16-10-12-2-1-7-15-8-12/h3-6,12,15H,1-2,7-10H2/t12-/m1/s1
InChIKeyIBWRVTGYAMPRFC-GFCCVEGCSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine
CID 55060808
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
CID 45074936
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949
(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
CID 86325447

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine?
The IUPAC name of (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine (CID 35754092) is (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine.
What is the SMILES notation for (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine?
The canonical SMILES for (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine is Brc1ccc(COC[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine?
The InChIKey is IBWRVTGYAMPRFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-13-5-3-11(4-6-13)9-16-10-12-2-1-7-15-8-12/h3-6,12,15H,1-2,7-10H2/t12-/m1/s1.
What are the key properties of (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine?
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine has a molecular weight of 284.20 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-bromophenyl)methoxymethyl]piperidine is sourced from PubChem (CID 35754092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).