(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine

C13H26N2 — CID 95241605

IUPAC(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
SMILESCCCN1CCCC[C@H]1[C@@H]1CCCNC1
InChIInChI=1S/C13H26N2/c1-2-9-15-10-4-3-7-13(15)12-6-5-8-14-11-12/h12-14H,2-11H2,1H3/t12-,13+/m1/s1
InChIKeyVQBZYKSDBIFFKV-OLZOCXBDSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds3

About (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine

(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine (PubChem CID 95241605) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine.

Molecular Properties

Compound Name(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
PubChem CID95241605
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
SMILESCCCN1CCCC[C@H]1[C@@H]1CCCNC1
InChIInChI=1S/C13H26N2/c1-2-9-15-10-4-3-7-13(15)12-6-5-8-14-11-12/h12-14H,2-11H2,1H3/t12-,13+/m1/s1
InChIKeyVQBZYKSDBIFFKV-OLZOCXBDSA-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

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3-[1-(5-fluoropentyl)pyrrolidin-2-yl]piperidine
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1-benzyl-2-piperidin-3-ylpiperidine
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3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
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4-methyl-2-[(2-piperidin-3-ylpyrrolidin-1-yl)methyl]morpholine
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4-piperidin-3-yl-3-propyl-1,3-oxazolidin-2-one
CID 115064252
(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
CID 96627763
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
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3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
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(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
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CID 126990839

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine?
The IUPAC name of (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine (CID 95241605) is (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine.
What is the SMILES notation for (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine?
The canonical SMILES for (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine is CCCN1CCCC[C@H]1[C@@H]1CCCNC1.
What is the InChIKey of (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine?
The InChIKey is VQBZYKSDBIFFKV-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-9-15-10-4-3-7-13(15)12-6-5-8-14-11-12/h12-14H,2-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine?
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine 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-[(3R)-piperidin-3-yl]-1-propylpiperidine is sourced from PubChem (CID 95241605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).