1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine

C10H18N2 — CID 174829694

IUPAC1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
SMILESC1=CCN([C@H]2CCCNC2)CC1
InChIInChI=1S/C10H18N2/c1-2-7-12(8-3-1)10-5-4-6-11-9-10/h1-2,10-11H,3-9H2/t10-/m0/s1
InChIKeyWTXFCLXPBJCWHG-JTQLQIEISA-N
MW166.27 g/mol
LogP1.00
Rot. Bonds1

About 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine

1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine (PubChem CID 174829694) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
PubChem CID174829694
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
SMILESC1=CCN([C@H]2CCCNC2)CC1
InChIInChI=1S/C10H18N2/c1-2-7-12(8-3-1)10-5-4-6-11-9-10/h1-2,10-11H,3-9H2/t10-/m0/s1
InChIKeyWTXFCLXPBJCWHG-JTQLQIEISA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3,6-dihydro-2H-pyridine
CID 45087168
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 131204117
1-piperidin-3-ylpiperidin-4-amine
CID 53414003
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
3-(3-methylsulfanylpyrrolidin-1-yl)piperidine
CID 131048051
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
CID 103533918
4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol
CID 130647241
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
CID 71607215
2-piperidin-3-yl-2-azaspiro[3.3]heptane
CID 79677674

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine (CID 174829694) is 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine is C1=CCN([C@H]2CCCNC2)CC1.
What is the InChIKey of 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is WTXFCLXPBJCWHG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2/c1-2-7-12(8-3-1)10-5-4-6-11-9-10/h1-2,10-11H,3-9H2/t10-/m0/s1.
What are the key properties of 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine?
1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 166.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174829694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).