1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide

C16H29N3O — CID 102898330

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C16H29N3O/c17-15(18)13-5-4-10-19(11-13)12-14-6-9-16(20-14)7-2-1-3-8-16/h13-14H,1-12H2,(H3,17,18)
InChIKeyHJMQEJXOVALEAB-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.52
Rot. Bonds3

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide

1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide (PubChem CID 102898330) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
PubChem CID102898330
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C16H29N3O/c17-15(18)13-5-4-10-19(11-13)12-14-6-9-16(20-14)7-2-1-3-8-16/h13-14H,1-12H2,(H3,17,18)
InChIKeyHJMQEJXOVALEAB-UHFFFAOYSA-N
XLogP2.52
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide
CID 102898334
1-[(5-methyloxolan-2-yl)methyl]piperidine-3-carboximidamide
CID 103134708
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408
4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide
CID 102898079
3-methylsulfanyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)azepane
CID 86818442
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 102901027
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 102899235
N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide
CID 102898294

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide (CID 102898330) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide?
The InChIKey is HJMQEJXOVALEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c17-15(18)13-5-4-10-19(11-13)12-14-6-9-16(20-14)7-2-1-3-8-16/h13-14H,1-12H2,(H3,17,18).
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide has a molecular weight of 279.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide is sourced from PubChem (CID 102898330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).