4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide

C17H31N3O — CID 107161984

IUPAC4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-16(15(18)19)8-10-20(11-9-16)14-5-12-21-17(13-14)6-3-2-4-7-17/h14H,2-13H2,1H3,(H3,18,19)
InChIKeyMVPMENKTQHWXHH-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.91
Rot. Bonds2

About 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide

4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide (PubChem CID 107161984) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide
PubChem CID107161984
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-16(15(18)19)8-10-20(11-9-16)14-5-12-21-17(13-14)6-3-2-4-7-17/h14H,2-13H2,1H3,(H3,18,19)
InChIKeyMVPMENKTQHWXHH-UHFFFAOYSA-N
XLogP2.91
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.91
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

3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
CID 79901324
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)azetidin-3-ol
CID 79920651
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide (CID 107161984) is 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(C2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide?
The InChIKey is MVPMENKTQHWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-16(15(18)19)8-10-20(11-9-16)14-5-12-21-17(13-14)6-3-2-4-7-17/h14H,2-13H2,1H3,(H3,18,19).
What are the key properties of 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide?
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide has a molecular weight of 293.45 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-4-carboximidamide is sourced from PubChem (CID 107161984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).