(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

C16H32N2O2 — CID 142812058

IUPAC(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC1CCN(C2CCN([C@H](O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N2O2/c1-13-5-9-17(10-6-13)14-7-11-18(12-8-14)15(19)20-16(2,3)4/h13-15,19H,5-12H2,1-4H3/t15-/m1/s1
InChIKeyMFIKNDYQHRXQQQ-OAHLLOKOSA-N
MW284.44 g/mol
LogP2.27
Rot. Bonds3

About (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 142812058) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID142812058
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC1CCN(C2CCN([C@H](O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N2O2/c1-13-5-9-17(10-6-13)14-7-11-18(12-8-14)15(19)20-16(2,3)4/h13-15,19H,5-12H2,1-4H3/t15-/m1/s1
InChIKeyMFIKNDYQHRXQQQ-OAHLLOKOSA-N
XLogP2.27
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
CID 154475897
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide
CID 123191389
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide
CID 123219754
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 77442311
(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 129222575
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594
2-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-yl]benzoic acid
CID 91494222
[(3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-yl]methyl methanesulfonate
CID 139524998
1-methyl-4-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]piperidine
CID 169257843
1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
CID 177198291
1-[(2-methylpropan-2-yl)oxy]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898534

Frequently Asked Questions

What is the IUPAC name of (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol (CID 142812058) is (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is CC1CCN(C2CCN([C@H](O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is MFIKNDYQHRXQQQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13-5-9-17(10-6-13)14-7-11-18(12-8-14)15(19)20-16(2,3)4/h13-15,19H,5-12H2,1-4H3/t15-/m1/s1.
What are the key properties of (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol?
(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 284.44 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 142812058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).