4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde

C16H23NO — CID 174870028

IUPAC4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde
SMILESCC(C)CN1CCC(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-13(2)11-17-9-7-16(8-10-17)15-5-3-14(12-18)4-6-15/h3-6,12-13,16H,7-11H2,1-2H3
InChIKeyKORMFPNRGQTAGT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.33
Rot. Bonds4

About 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde

4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde (PubChem CID 174870028) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde.

Molecular Properties

Compound Name4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde
PubChem CID174870028
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde
SMILESCC(C)CN1CCC(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-13(2)11-17-9-7-16(8-10-17)15-5-3-14(12-18)4-6-15/h3-6,12-13,16H,7-11H2,1-2H3
InChIKeyKORMFPNRGQTAGT-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cycloheptylbenzaldehyde
CID 21484445
4-cyclooctylbenzaldehyde
CID 12923818
4-[4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)phenyl]-1-(2-methylpropyl)piperidine
CID 141158288
2-amino-5-[4-(4-chlorophenyl)piperidin-1-yl]-4-methylpentanal
CID 87599494
4-(4-tert-butylcyclohexyl)benzaldehyde
CID 117363264
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]benzaldehyde
CID 81146170
2-[4-[1-(2-methylpropyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 141336819
4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzaldehyde
CID 22077176
4-ethenyl-1-(2-methylpropyl)piperidine
CID 138457613
4-(3-hydroxycyclopentyl)benzaldehyde
CID 115018169
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde?
The IUPAC name of 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde (CID 174870028) is 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde.
What is the SMILES notation for 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde?
The canonical SMILES for 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde is CC(C)CN1CCC(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde?
The InChIKey is KORMFPNRGQTAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)11-17-9-7-16(8-10-17)15-5-3-14(12-18)4-6-15/h3-6,12-13,16H,7-11H2,1-2H3.
What are the key properties of 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde?
4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde has a molecular weight of 245.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde is sourced from PubChem (CID 174870028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).