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

C13H26N2 — CID 643503

IUPAC(3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine
SMILESC[C@H]1CCCN(CN2CCC[C@H](C)C2)C1
InChIInChI=1S/C13H26N2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyKLFHRQOZJWCFOI-STQMWFEESA-N
MW210.36 g/mol
LogP2.41
Rot. Bonds2

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

(3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine (PubChem CID 643503) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine
PubChem CID643503
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine
SMILESC[C@H]1CCCN(CN2CCC[C@H](C)C2)C1
InChIInChI=1S/C13H26N2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyKLFHRQOZJWCFOI-STQMWFEESA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dipiperidinomethane
CID 70151
1,1'-Methylenebis[3-methylpiperidine]
CID 111445
1-Ethyl-1-(piperidinomethyl)piperidinium iodide
CID 3056448
1-(2-Methyl-4-piperidin-1-ylbutyl)piperidine
CID 11128366
1-(1-Piperidin-1-ylethyl)piperidine
CID 21930576
Dipiperidinopentane
CID 22256086
Dipiperidyl propane
CID 129649333
Piperidine, 1,1'-(1,2-ethanediyl)bis[3-methyl-
CID 107031
1,1'-Methylenebis(4-methylpiperidine)
CID 6454772
1-(1-Fluoro-1-piperidin-1-ylethyl)piperidine
CID 22014404
1-(1-Fluoro-1-piperidin-1-ylpropyl)piperidine
CID 22014409
1-(1-Fluoro-1-piperidin-1-ylbutyl)piperidine
CID 22014410

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine (CID 643503) is (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine is C[C@H]1CCCN(CN2CCC[C@H](C)C2)C1.
What is the InChIKey of (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine?
The InChIKey is KLFHRQOZJWCFOI-STQMWFEESA-N. The full InChI is InChI=1S/C13H26N2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-13H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine?
(3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine has a molecular weight of 210.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 643503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).