1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine

C23H44N2O — CID 146558709

IUPAC1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C(C)(C)CCC(C)C2CCN(C3COC3)CC2)CC1
InChIInChI=1S/C23H44N2O/c1-18(2)20-9-14-25(15-10-20)23(4,5)11-6-19(3)21-7-12-24(13-8-21)22-16-26-17-22/h18-22H,6-17H2,1-5H3
InChIKeyKLAWDIVCASRKNF-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.66
Rot. Bonds7

About 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine

1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine (PubChem CID 146558709) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine
PubChem CID146558709
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C(C)(C)CCC(C)C2CCN(C3COC3)CC2)CC1
InChIInChI=1S/C23H44N2O/c1-18(2)20-9-14-25(15-10-20)23(4,5)11-6-19(3)21-7-12-24(13-8-21)22-16-26-17-22/h18-22H,6-17H2,1-5H3
InChIKeyKLAWDIVCASRKNF-UHFFFAOYSA-N
XLogP4.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine with MolForge

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Related Compounds

2-Tert-butyl-5-[5-(4-fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-1-(oxetan-3-yl)piperidine
CID 130368590
1-(Oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 130440259
3-Fluoro-1-[2-methyl-2-[1-(oxetan-3-yl)piperidin-4-yl]propyl]-4-propan-2-ylpiperidine
CID 169564687
4-[2,5-Dimethyl-5-[4-methyl-1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-fluoro-1-(oxetan-3-yl)piperidine
CID 169665915
5-Methyl-13-propan-2-ylspiro[13-azabicyclo[9.4.0]pentadecane-12,3'-oxetane]
CID 167191020
1-[2-[(2,6-Diethyl-2,5,5-trimethyl-4-propylpiperidin-1-yl)methoxy]ethyl]-3,5-diethyl-2,2,3,4,5-pentamethylpiperazine
CID 21359040
2-[4-[3-(1-Propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol
CID 58601024
4-(1,2,7-Trimethylcycloundecyl)morpholine
CID 91226071
1-(2-Methoxyethyl)-3-[4-[1-(2-methoxyethyl)piperidin-4-yl]hexyl]piperidine
CID 91435246
4-(2-Methyl-1-morpholin-4-ylheptan-4-yl)morpholine
CID 91483008
2,5-Ditert-butyl-1-(oxetan-3-yl)piperidine
CID 122428079
4-[1-(Oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine
CID 123927561

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine (CID 146558709) is 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine is CC(C)C1CCN(C(C)(C)CCC(C)C2CCN(C3COC3)CC2)CC1.
What is the InChIKey of 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine?
The InChIKey is KLAWDIVCASRKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-18(2)20-9-14-25(15-10-20)23(4,5)11-6-19(3)21-7-12-24(13-8-21)22-16-26-17-22/h18-22H,6-17H2,1-5H3.
What are the key properties of 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine?
1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine has a molecular weight of 364.62 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 146558709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).