4-pentylpiperidine-1-carbaldehyde

C11H21NO — CID 13418208

IUPAC4-pentylpiperidine-1-carbaldehyde
SMILESCCCCCC1CCN(C=O)CC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h10-11H,2-9H2,1H3
InChIKeyJNUZOCXZFWBCQN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds5

About 4-pentylpiperidine-1-carbaldehyde

4-pentylpiperidine-1-carbaldehyde (PubChem CID 13418208) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-pentylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-pentylpiperidine-1-carbaldehyde
PubChem CID13418208
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-pentylpiperidine-1-carbaldehyde
SMILESCCCCCC1CCN(C=O)CC1
InChIInChI=1S/C11H21NO/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h10-11H,2-9H2,1H3
InChIKeyJNUZOCXZFWBCQN-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(methylamino)propyl]piperidine-1-carbaldehyde
CID 166684107
4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl]piperidine-1-carbaldehyde;N-ethyl-N-nonylnonan-1-amine
CID 170755229
4-pentylpiperidin-1-amine
CID 69326723
4-(2-hydroxyethyl)piperidine-1-carbaldehyde
CID 7330460
hexane;pentylcyclopropane
CID 159592467
4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde
CID 87381497
N-(4-pentylcyclohexyl)formamide
CID 118946669
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684

Frequently Asked Questions

What is the IUPAC name of 4-pentylpiperidine-1-carbaldehyde?
The IUPAC name of 4-pentylpiperidine-1-carbaldehyde (CID 13418208) is 4-pentylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-pentylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-pentylpiperidine-1-carbaldehyde is CCCCCC1CCN(C=O)CC1.
What is the InChIKey of 4-pentylpiperidine-1-carbaldehyde?
The InChIKey is JNUZOCXZFWBCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h10-11H,2-9H2,1H3.
What are the key properties of 4-pentylpiperidine-1-carbaldehyde?
4-pentylpiperidine-1-carbaldehyde has a molecular weight of 183.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylpiperidine-1-carbaldehyde is sourced from PubChem (CID 13418208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).