1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde

C13H23NO2 — CID 62278259

IUPAC1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN2CCC(CO)CC2)CCCC1
InChIInChI=1S/C13H23NO2/c15-9-12-3-7-14(8-4-12)10-13(11-16)5-1-2-6-13/h11-12,15H,1-10H2
InChIKeyPCTMJZCFXQBMLA-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.45
Rot. Bonds4

About 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde

1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62278259) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
PubChem CID62278259
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN2CCC(CO)CC2)CCCC1
InChIInChI=1S/C13H23NO2/c15-9-12-3-7-14(8-4-12)10-13(11-16)5-1-2-6-13/h11-12,15H,1-10H2
InChIKeyPCTMJZCFXQBMLA-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde (CID 62278259) is 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde is O=CC1(CN2CCC(CO)CC2)CCCC1.
What is the InChIKey of 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is PCTMJZCFXQBMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-9-12-3-7-14(8-4-12)10-13(11-16)5-1-2-6-13/h11-12,15H,1-10H2.
What are the key properties of 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde?
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 225.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62278259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).