(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine

C11H22N2 — CID 86323532

IUPAC(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
SMILESC[C@H]1CCCN(C[C@@H]2CCNC2)C1
InChIInChI=1S/C11H22N2/c1-10-3-2-6-13(8-10)9-11-4-5-12-7-11/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyUSMGXHWFMCYOLP-WDEREUQCSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds2

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

(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine (PubChem CID 86323532) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
PubChem CID86323532
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
SMILESC[C@H]1CCCN(C[C@@H]2CCNC2)C1
InChIInChI=1S/C11H22N2/c1-10-3-2-6-13(8-10)9-11-4-5-12-7-11/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyUSMGXHWFMCYOLP-WDEREUQCSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
CID 62370527
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892
3-methyl-1-(2-piperidin-4-ylethyl)piperidine;dihydrochloride
CID 56831695
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987
1-(cyclopentylmethyl)-3-methyl-1,5,9-triazacyclododecane
CID 175833983
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine (CID 86323532) is (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine is C[C@H]1CCCN(C[C@@H]2CCNC2)C1.
What is the InChIKey of (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine?
The InChIKey is USMGXHWFMCYOLP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-3-2-6-13(8-10)9-11-4-5-12-7-11/h10-12H,2-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine?
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 86323532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).