1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde

C16H29NO3 — CID 82691382

IUPAC1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde
SMILESO=CC1(CN2CCC(OCCO)CC2)CCCCCC1
InChIInChI=1S/C16H29NO3/c18-11-12-20-15-5-9-17(10-6-15)13-16(14-19)7-3-1-2-4-8-16/h14-15,18H,1-13H2
InChIKeyLLWOMJLUQDXIQD-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.00
Rot. Bonds6

About 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde

1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde (PubChem CID 82691382) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde
PubChem CID82691382
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde
SMILESO=CC1(CN2CCC(OCCO)CC2)CCCCCC1
InChIInChI=1S/C16H29NO3/c18-11-12-20-15-5-9-17(10-6-15)13-16(14-19)7-3-1-2-4-8-16/h14-15,18H,1-13H2
InChIKeyLLWOMJLUQDXIQD-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde
CID 82691530
3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 82690939
1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276005
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62278259
2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
CID 82690940
2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
CID 82685623
1-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 112628845
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65213724
4-[(4-methoxypiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 62391619
2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde?
The IUPAC name of 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde (CID 82691382) is 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde.
What is the SMILES notation for 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde?
The canonical SMILES for 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde is O=CC1(CN2CCC(OCCO)CC2)CCCCCC1.
What is the InChIKey of 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde?
The InChIKey is LLWOMJLUQDXIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c18-11-12-20-15-5-9-17(10-6-15)13-16(14-19)7-3-1-2-4-8-16/h14-15,18H,1-13H2.
What are the key properties of 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde?
1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde has a molecular weight of 283.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde is sourced from PubChem (CID 82691382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).