4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde

C16H30N2O — CID 158606190

IUPAC4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde
SMILESCC(C)(C)N1CCC(CC2CCN(C=O)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)18-10-6-15(7-11-18)12-14-4-8-17(13-19)9-5-14/h13-15H,4-12H2,1-3H3
InChIKeyIPMJBIJVLPJJJA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.76
Rot. Bonds3

About 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde

4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde (PubChem CID 158606190) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde
PubChem CID158606190
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde
SMILESCC(C)(C)N1CCC(CC2CCN(C=O)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)18-10-6-15(7-11-18)12-14-4-8-17(13-19)9-5-14/h13-15H,4-12H2,1-3H3
InChIKeyIPMJBIJVLPJJJA-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.76
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-(2-Fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde
CID 177254207
2-Ethyl-4-methylpiperidine-1-carbaldehyde
CID 135038940
N-[6-[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 11271554
1-(N-formyl-1-methylaminomethylcyclohexyl) piperidine
CID 21409851
2,2,3-Trimethylpiperidine-1-carbaldehyde
CID 53684174
N-[5-[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pentyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 59202476
Methyl 3-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)piperidine-1-carboxylate
CID 59639415
3-[3-(Diethylamino)propyl]piperidine-1-carbaldehyde
CID 87626736
N-[6-[formyl-(2,2,4,6,6-pentamethylpiperidin-1-yl)amino]hexyl]-N-(2,2,4,6,6-pentamethylpiperidin-1-yl)formamide
CID 90945994
5-Ethyl-2-methylpiperidine-1-carbaldehyde
CID 91410814
N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 91497108
N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide
CID 118430708

Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde (CID 158606190) is 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde is CC(C)(C)N1CCC(CC2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde?
The InChIKey is IPMJBIJVLPJJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)18-10-6-15(7-11-18)12-14-4-8-17(13-19)9-5-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde?
4-[(1-tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde has a molecular weight of 266.43 g/mol, XLogP of 2.76, 3 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)methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 158606190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).