4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride

C13H18ClNO2 — CID 171195077

IUPAC4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride
SMILESC[C@@]1(Oc2ccc(C=O)cc2)CCCCN1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-13(8-2-3-9-14-13)16-12-6-4-11(10-15)5-7-12;/h4-7,10,14H,2-3,8-9H2,1H3;1H/t13-;/m1./s1
InChIKeyGYBAMBGLDYCYLB-BTQNPOSSSA-N
MW255.75 g/mol
LogP2.79
Rot. Bonds3

About 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride

4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride (PubChem CID 171195077) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride
PubChem CID171195077
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride
SMILESC[C@@]1(Oc2ccc(C=O)cc2)CCCCN1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-13(8-2-3-9-14-13)16-12-6-4-11(10-15)5-7-12;/h4-7,10,14H,2-3,8-9H2,1H3;1H/t13-;/m1./s1
InChIKeyGYBAMBGLDYCYLB-BTQNPOSSSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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1-ethenyl-4-(1-methylcyclopentyl)oxybenzene
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4-(4-iodo-4-methylcyclohexyl)oxybenzaldehyde
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3-chloro-4-(1-methylcyclopentyl)oxybenzaldehyde
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ethane;4-phosphanyloxybenzaldehyde
CID 91463332
4-cyclopentyloxybenzaldehyde
CID 3152724
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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride?
The IUPAC name of 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride (CID 171195077) is 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride.
What is the SMILES notation for 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride?
The canonical SMILES for 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride is C[C@@]1(Oc2ccc(C=O)cc2)CCCCN1.Cl.
What is the InChIKey of 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride?
The InChIKey is GYBAMBGLDYCYLB-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-13(8-2-3-9-14-13)16-12-6-4-11(10-15)5-7-12;/h4-7,10,14H,2-3,8-9H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride?
4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperidin-2-yl]oxybenzaldehyde;hydrochloride is sourced from PubChem (CID 171195077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).