4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine

C15H31N3O2 — CID 66270520

IUPAC4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine
SMILESCOC(CC(CN)N1CCC(N2CCCCC2)C1)OC
InChIInChI=1S/C15H31N3O2/c1-19-15(20-2)10-14(11-16)18-9-6-13(12-18)17-7-4-3-5-8-17/h13-15H,3-12,16H2,1-2H3
InChIKeyDLJJBYXUGCEKFO-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.88
Rot. Bonds7

About 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine

4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine (PubChem CID 66270520) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine
PubChem CID66270520
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine
SMILESCOC(CC(CN)N1CCC(N2CCCCC2)C1)OC
InChIInChI=1S/C15H31N3O2/c1-19-15(20-2)10-14(11-16)18-9-6-13(12-18)17-7-4-3-5-8-17/h13-15H,3-12,16H2,1-2H3
InChIKeyDLJJBYXUGCEKFO-UHFFFAOYSA-N
XLogP0.88
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4,4-dimethoxybutan-1-amine
CID 66269950
2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine
CID 66270128
4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102964864
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpentan-1-amine
CID 79940778
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
4-amino-N,N-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 66432074
2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63169631
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79940321
(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
CID 99856888
methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 79413832
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylsulfanylbutan-1-amine
CID 79932410

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine (CID 66270520) is 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine is COC(CC(CN)N1CCC(N2CCCCC2)C1)OC.
What is the InChIKey of 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is DLJJBYXUGCEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-19-15(20-2)10-14(11-16)18-9-6-13(12-18)17-7-4-3-5-8-17/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine?
4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 66270520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).