(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine

C12H24N2 — CID 131186194

IUPAC(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
SMILESCCC1(C)CN(C[C@H]2CCCNC2)C1
InChIInChI=1S/C12H24N2/c1-3-12(2)9-14(10-12)8-11-5-4-6-13-7-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyDJBONLAQHGCIBT-NSHDSACASA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds3

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

(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine (PubChem CID 131186194) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
PubChem CID131186194
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
SMILESCCC1(C)CN(C[C@H]2CCCNC2)C1
InChIInChI=1S/C12H24N2/c1-3-12(2)9-14(10-12)8-11-5-4-6-13-7-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyDJBONLAQHGCIBT-NSHDSACASA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677882
3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120848754
4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 174255823
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
[6,6-dimethyl-4-(piperidin-3-ylmethyl)morpholin-2-yl]methanol
CID 114782619
3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine (CID 131186194) is (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine is CCC1(C)CN(C[C@H]2CCCNC2)C1.
What is the InChIKey of (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine?
The InChIKey is DJBONLAQHGCIBT-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2/c1-3-12(2)9-14(10-12)8-11-5-4-6-13-7-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine?
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine is sourced from PubChem (CID 131186194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).