1-(cyclopropylmethyl)piperidine-4-carbaldehyde

C10H17NO — CID 62656102

IUPAC1-(cyclopropylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC2CC2)CC1
InChIInChI=1S/C10H17NO/c12-8-10-3-5-11(6-4-10)7-9-1-2-9/h8-10H,1-7H2
InChIKeyOPTAOGCMXISGFK-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.31
Rot. Bonds3

About 1-(cyclopropylmethyl)piperidine-4-carbaldehyde

1-(cyclopropylmethyl)piperidine-4-carbaldehyde (PubChem CID 62656102) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)piperidine-4-carbaldehyde
PubChem CID62656102
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(cyclopropylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC2CC2)CC1
InChIInChI=1S/C10H17NO/c12-8-10-3-5-11(6-4-10)7-9-1-2-9/h8-10H,1-7H2
InChIKeyOPTAOGCMXISGFK-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.31
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

1-(cyclobutylmethyl)piperidine-4-carbaldehyde
CID 65461855
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555
1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde
CID 107530842
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
(3R)-1-ethylpyrrolidine-3-carbaldehyde
CID 97182013
1-ethylpyrrolidine-3-carbaldehyde
CID 84647972
4-chloro-1-(cyclopropylmethyl)azepane
CID 131067593

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)piperidine-4-carbaldehyde (CID 62656102) is 1-(cyclopropylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)piperidine-4-carbaldehyde is O=CC1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)piperidine-4-carbaldehyde?
The InChIKey is OPTAOGCMXISGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-10-3-5-11(6-4-10)7-9-1-2-9/h8-10H,1-7H2.
What are the key properties of 1-(cyclopropylmethyl)piperidine-4-carbaldehyde?
1-(cyclopropylmethyl)piperidine-4-carbaldehyde has a molecular weight of 167.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62656102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).