5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide

C14H29N3O — CID 65257995

IUPAC5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(COC)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,13(15)16)7-4-8-17-9-5-12(6-10-17)11-18-3/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyGITXQSYJGGEVJN-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.09
Rot. Bonds7

About 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide

5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 65257995) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
PubChem CID65257995
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(COC)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,13(15)16)7-4-8-17-9-5-12(6-10-17)11-18-3/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyGITXQSYJGGEVJN-UHFFFAOYSA-N
XLogP2.09
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.09
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

6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150
2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
CID 65258334
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 112625805
5-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258912
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258244
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
CID 65252553
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
CID 65258381
6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
CID 107223309
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide (CID 65257995) is 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCC(COC)CC1.
What is the InChIKey of 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is GITXQSYJGGEVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,13(15)16)7-4-8-17-9-5-12(6-10-17)11-18-3/h12H,4-11H2,1-3H3,(H3,15,16).
What are the key properties of 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65257995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).