(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine

C11H22N2 — CID 124559639

IUPAC(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
SMILESC[C@H]1CCCN([C@H]2CCCNC2)C1
InChIInChI=1S/C11H22N2/c1-10-4-3-7-13(9-10)11-5-2-6-12-8-11/h10-12H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyCJWRVRINIMDENH-QWRGUYRKSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds1

About (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine

(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine (PubChem CID 124559639) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
PubChem CID124559639
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
SMILESC[C@H]1CCCN([C@H]2CCCNC2)C1
InChIInChI=1S/C11H22N2/c1-10-4-3-7-13(9-10)11-5-2-6-12-8-11/h10-12H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyCJWRVRINIMDENH-QWRGUYRKSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane
CID 145424394
(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
CID 145118485
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
CID 71607215
3-(3-methylsulfanylpyrrolidin-1-yl)piperidine
CID 131048051
5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166934569
1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
3-methyl-1-(5-methylpyrrolidin-3-yl)piperidine
CID 130528543
3-methyl-1-(oxan-3-yl)-1,5-diazocane
CID 63361265
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine (CID 124559639) is (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine is C[C@H]1CCCN([C@H]2CCCNC2)C1.
What is the InChIKey of (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine?
The InChIKey is CJWRVRINIMDENH-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-4-3-7-13(9-10)11-5-2-6-12-8-11/h10-12H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine?
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine is sourced from PubChem (CID 124559639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).