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

C12H24N2 — CID 124802901

IUPAC(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
SMILESC[C@H]1CCCN(C[C@H]2CCCNC2)C1
InChIInChI=1S/C12H24N2/c1-11-4-3-7-14(9-11)10-12-5-2-6-13-8-12/h11-13H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyCYIPMFGUWLWJBY-RYUDHWBXSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds2

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

(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine (PubChem CID 124802901) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
PubChem CID124802901
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
SMILESC[C@H]1CCCN(C[C@H]2CCCNC2)C1
InChIInChI=1S/C12H24N2/c1-11-4-3-7-14(9-11)10-12-5-2-6-13-8-12/h11-13H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyCYIPMFGUWLWJBY-RYUDHWBXSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
6-methyl-4-(piperidin-3-ylmethyl)-1,4-thiazepane;hydrochloride
CID 120853474
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
1-(cyclopentylmethyl)-3-methyl-1,5,9-triazacyclododecane
CID 175833983
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
4-methyl-1-(2-piperidin-3-ylethyl)azepane
CID 63622050
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122
3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120848754
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine (CID 124802901) is (3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine is C[C@H]1CCCN(C[C@H]2CCCNC2)C1.
What is the InChIKey of (3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine?
The InChIKey is CYIPMFGUWLWJBY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-4-3-7-14(9-11)10-12-5-2-6-13-8-12/h11-13H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine?
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 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-[[(3S)-piperidin-3-yl]methyl]piperidine is sourced from PubChem (CID 124802901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).