(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine

C13H26N2 — CID 124814973

IUPAC(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
SMILESCC[C@H]1CCCCN1C[C@H]1CCCNC1
InChIInChI=1S/C13H26N2/c1-2-13-7-3-4-9-15(13)11-12-6-5-8-14-10-12/h12-14H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyYKMPYOXSVIFYBL-STQMWFEESA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds3

About (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine

(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine (PubChem CID 124814973) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
PubChem CID124814973
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
SMILESCC[C@H]1CCCCN1C[C@H]1CCCNC1
InChIInChI=1S/C13H26N2/c1-2-13-7-3-4-9-15(13)11-12-6-5-8-14-10-12/h12-14H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyYKMPYOXSVIFYBL-STQMWFEESA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
2-ethyl-1-(2-piperidin-3-ylethyl)piperidine;dihydrochloride
CID 56831677
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
(2R)-2-ethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 124678521
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane
CID 82564943
[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690353
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine
CID 104690414
1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
CID 120848946
1-[1-(piperidin-3-ylmethyl)piperidin-2-yl]prop-2-en-1-one
CID 175432939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine?
The IUPAC name of (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine (CID 124814973) is (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine.
What is the SMILES notation for (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine?
The canonical SMILES for (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine is CC[C@H]1CCCCN1C[C@H]1CCCNC1.
What is the InChIKey of (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine?
The InChIKey is YKMPYOXSVIFYBL-STQMWFEESA-N. The full InChI is InChI=1S/C13H26N2/c1-2-13-7-3-4-9-15(13)11-12-6-5-8-14-10-12/h12-14H,2-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine?
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine is sourced from PubChem (CID 124814973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).