1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine

C13H24N2O — CID 114410607

IUPAC1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-9-15(10-3-1)11-4-12-16-13-5-7-14-8-6-13/h1-2,13-14H,3-12H2
InChIKeyMBZWOPNGLSZMEA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds5

About 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine

1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine (PubChem CID 114410607) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
PubChem CID114410607
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-9-15(10-3-1)11-4-12-16-13-5-7-14-8-6-13/h1-2,13-14H,3-12H2
InChIKeyMBZWOPNGLSZMEA-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490197
4-But-3-enoxypiperidine
CID 18337193
3-piperidin-4-yloxy-N,N-bis(prop-2-enyl)propan-1-amine
CID 55251447
4-[2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl]morpholine
CID 107489754
1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine
CID 141050421
N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
CID 141050441
4-[(E)-oct-3-enoxy]piperidine
CID 142825092
4-Cyclohexa-1,3-dien-1-yloxypiperidine
CID 147489651
4-[3-(2,5-Dihydropyrrol-1-yl)propoxy]piperidine
CID 65418148
4-(4-Methoxypiperidin-1-yl)but-2-en-1-amine
CID 77110204
4-(4-Ethoxypiperidin-1-yl)but-2-en-1-amine
CID 77110583
3-(1-But-3-en-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 79735047

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine (CID 114410607) is 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine is C1=CCN(CCCOC2CCNCC2)CC1.
What is the InChIKey of 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MBZWOPNGLSZMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-9-15(10-3-1)11-4-12-16-13-5-7-14-8-6-13/h1-2,13-14H,3-12H2.
What are the key properties of 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).