(3S)-1-methyl-3-piperidin-4-yloxypiperidine

C11H22N2O — CID 97181123

IUPAC(3S)-1-methyl-3-piperidin-4-yloxypiperidine
SMILESCN1CCC[C@H](OC2CCNCC2)C1
InChIInChI=1S/C11H22N2O/c1-13-8-2-3-11(9-13)14-10-4-6-12-7-5-10/h10-12H,2-9H2,1H3/t11-/m0/s1
InChIKeyZVGFNLJZYIDKRL-NSHDSACASA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

About (3S)-1-methyl-3-piperidin-4-yloxypiperidine

(3S)-1-methyl-3-piperidin-4-yloxypiperidine (PubChem CID 97181123) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-1-methyl-3-piperidin-4-yloxypiperidine.

Molecular Properties

Compound Name(3S)-1-methyl-3-piperidin-4-yloxypiperidine
PubChem CID97181123
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S)-1-methyl-3-piperidin-4-yloxypiperidine
SMILESCN1CCC[C@H](OC2CCNCC2)C1
InChIInChI=1S/C11H22N2O/c1-13-8-2-3-11(9-13)14-10-4-6-12-7-5-10/h10-12H,2-9H2,1H3/t11-/m0/s1
InChIKeyZVGFNLJZYIDKRL-NSHDSACASA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-piperidin-4-yloxypiperidine;hydrochloride
CID 84819365
ethane;1-methyl-4-piperidin-4-yloxypiperidine
CID 170629571
3-cyclobutyloxy-1-piperidin-4-ylpiperidine
CID 176957476
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
(4R)-4-cyclobutyloxyazepane
CID 124508837
O-(1-methylpiperidin-3-yl)hydroxylamine
CID 45087410
4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
CID 117046241
1-ethyl-3-pyrrolidin-3-yloxypiperidine
CID 112547534
1-propan-2-yl-3-pyrrolidin-3-yloxypiperidine
CID 117046264
3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine
CID 117489897
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)piperidine
CID 119931133

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-piperidin-4-yloxypiperidine?
The IUPAC name of (3S)-1-methyl-3-piperidin-4-yloxypiperidine (CID 97181123) is (3S)-1-methyl-3-piperidin-4-yloxypiperidine.
What is the SMILES notation for (3S)-1-methyl-3-piperidin-4-yloxypiperidine?
The canonical SMILES for (3S)-1-methyl-3-piperidin-4-yloxypiperidine is CN1CCC[C@H](OC2CCNCC2)C1.
What is the InChIKey of (3S)-1-methyl-3-piperidin-4-yloxypiperidine?
The InChIKey is ZVGFNLJZYIDKRL-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-8-2-3-11(9-13)14-10-4-6-12-7-5-10/h10-12H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-methyl-3-piperidin-4-yloxypiperidine?
(3S)-1-methyl-3-piperidin-4-yloxypiperidine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-piperidin-4-yloxypiperidine is sourced from PubChem (CID 97181123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).