2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine

C19H36N2O2 — CID 84595520

IUPAC2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine
SMILESCC1(C)CC(NCC2(N3CCCCC3)CCOCC2)C(C)(C)O1
InChIInChI=1S/C19H36N2O2/c1-17(2)14-16(18(3,4)23-17)20-15-19(8-12-22-13-9-19)21-10-6-5-7-11-21/h16,20H,5-15H2,1-4H3
InChIKeyMCJTZSIZFICNNQ-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.96
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine (PubChem CID 84595520) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine
PubChem CID84595520
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine
SMILESCC1(C)CC(NCC2(N3CCCCC3)CCOCC2)C(C)(C)O1
InChIInChI=1S/C19H36N2O2/c1-17(2)14-16(18(3,4)23-17)20-15-19(8-12-22-13-9-19)21-10-6-5-7-11-21/h16,20H,5-15H2,1-4H3
InChIKeyMCJTZSIZFICNNQ-UHFFFAOYSA-N
XLogP2.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
CID 75515369
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide
CID 95621514
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716
(3R)-2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine
CID 97102225
2-methyl-1-prop-2-enyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111548537
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
CID 163582901
N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 119886746
1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129277
2-methyl-1-propyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111836461

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine (CID 84595520) is 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine is CC1(C)CC(NCC2(N3CCCCC3)CCOCC2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine?
The InChIKey is MCJTZSIZFICNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-17(2)14-16(18(3,4)23-17)20-15-19(8-12-22-13-9-19)21-10-6-5-7-11-21/h16,20H,5-15H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine has a molecular weight of 324.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 84595520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).