4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde

C15H28N2O — CID 158606189

IUPAC4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde
SMILESCC(C)(C)N1CCC(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)17-10-6-14(7-11-17)13-4-8-16(12-18)9-5-13/h12-14H,4-11H2,1-3H3
InChIKeyMIRBZXFAUIHSMB-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.37
Rot. Bonds2

About 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde

4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde (PubChem CID 158606189) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde
PubChem CID158606189
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde
SMILESCC(C)(C)N1CCC(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)17-10-6-14(7-11-17)13-4-8-16(12-18)9-5-13/h12-14H,4-11H2,1-3H3
InChIKeyMIRBZXFAUIHSMB-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.37
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-[1-(4-Methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride
CID 176968506
4-[1-(2-Fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde
CID 177254207
3,3-Difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde
CID 177134533
4-Propan-2-ylpiperidine-1-carbaldehyde
CID 45083861
2,2,3-Trimethylpiperidine-1-carbaldehyde
CID 53684174
2,2,3,3-Tetramethylpiperidine-1-carbaldehyde
CID 53993493
3-Propan-2-ylpiperidine-1-carbaldehyde
CID 57813067
CID 57918918
CID 57918918
4-(2-Methylpropyl)piperidine-1-carbaldehyde
CID 59131388
4-(1-Tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid
CID 68668509
3-[3-(Diethylamino)propyl]piperidine-1-carbaldehyde
CID 87626736
4-(3-Methylpiperidin-1-yl)piperidine-1-carbaldehyde
CID 122652128

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde (CID 158606189) is 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde is CC(C)(C)N1CCC(C2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde?
The InChIKey is MIRBZXFAUIHSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)17-10-6-14(7-11-17)13-4-8-16(12-18)9-5-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde?
4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde has a molecular weight of 252.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 158606189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).