1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine

C19H37NO2 — CID 146549005

IUPAC1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine
SMILESCC(C)(C)O[C@H]1CCC[C@@H](OC2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H37NO2/c1-18(2,3)20-12-10-15(11-13-20)21-16-8-7-9-17(14-16)22-19(4,5)6/h15-17H,7-14H2,1-6H3/t16-,17+/m1/s1
InChIKeyXRSABCRXXKBGTK-SJORKVTESA-N
MW311.51 g/mol
LogP4.39
Rot. Bonds3

About 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine

1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine (PubChem CID 146549005) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine
PubChem CID146549005
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine
SMILESCC(C)(C)O[C@H]1CCC[C@@H](OC2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H37NO2/c1-18(2,3)20-12-10-15(11-13-20)21-16-8-7-9-17(14-16)22-19(4,5)6/h15-17H,7-14H2,1-6H3/t16-,17+/m1/s1
InChIKeyXRSABCRXXKBGTK-SJORKVTESA-N
XLogP4.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
CID 153436977
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-(2-piperidin-1-ylethyl)piperidine
CID 158335840
1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
CID 153320478
1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028
bis((3S)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3R)-1-tert-butyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine);bis((3S)-N,1-ditert-butylpyrrolidin-3-amine);bis((3R)-N,1-ditert-butylpyrrolidin-3-amine)
CID 158787394
4-(1-tert-butylazetidin-3-yl)-1-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]butan-1-one
CID 140908004
1-tert-butyl-4-[1-(oxetan-3-yl)azetidin-3-yl]oxypiperidine
CID 171761936
4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
CID 117046241
1-tert-butyl-N-(2-methylcyclopentyl)piperidin-4-amine
CID 65045786
cyclobutyloxycyclobutane;hydrofluoride
CID 174842144
4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-1-[6-[(2-methylpropan-2-yl)oxy]hex-4-ynyl]piperidine
CID 134488993

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine?
The IUPAC name of 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine (CID 146549005) is 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine.
What is the SMILES notation for 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine?
The canonical SMILES for 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine is CC(C)(C)O[C@H]1CCC[C@@H](OC2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine?
The InChIKey is XRSABCRXXKBGTK-SJORKVTESA-N. The full InChI is InChI=1S/C19H37NO2/c1-18(2,3)20-12-10-15(11-13-20)21-16-8-7-9-17(14-16)22-19(4,5)6/h15-17H,7-14H2,1-6H3/t16-,17+/m1/s1.
What are the key properties of 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine?
1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine has a molecular weight of 311.51 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(1R,3S)-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxypiperidine is sourced from PubChem (CID 146549005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).