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

C14H26N2O — CID 106314800

IUPAC5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CCCOC2CCNCC2)C1
InChIInChI=1S/C14H26N2O/c1-13-4-2-9-16(12-13)10-3-11-17-14-5-7-15-8-6-14/h4,14-15H,2-3,5-12H2,1H3
InChIKeySHDGKLJNYYQAGO-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.80
Rot. Bonds5

About 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine

5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine (PubChem CID 106314800) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
PubChem CID106314800
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CCCOC2CCNCC2)C1
InChIInChI=1S/C14H26N2O/c1-13-4-2-9-16(12-13)10-3-11-17-14-5-7-15-8-6-14/h4,14-15H,2-3,5-12H2,1H3
InChIKeySHDGKLJNYYQAGO-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.80
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

2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine
CID 16736003
1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490187
1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490197
3-[5-(Piperidin-1-ylmethyl)cyclohexa-1,4-dien-1-yl]oxypropan-1-amine
CID 86132093
4-[2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl]morpholine
CID 107489754
4-(2-Piperidin-4-ylideneethyl)morpholine
CID 115020790
1-(6-piperidin-4-yloxyhexyl)-3,6-dihydro-2H-pyridine
CID 141050421
4-(3-Methoxy-3-piperidin-1-ylpropyl)-1,2,3,6-tetrahydropyridine
CID 141885124
4-[(E)-oct-3-enoxy]piperidine
CID 142825092
N-ethyl-2-methyl-N-(3-piperidin-4-yloxypropyl)prop-2-en-1-amine
CID 55251959
3-[1-(3-Methylbut-2-enyl)piperidin-4-yl]oxypropan-1-amine
CID 79735063
3-[1-(2-Methylidenebutyl)piperidin-4-yl]oxypropan-1-amine
CID 79735706

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine (CID 106314800) is 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine is CC1=CCCN(CCCOC2CCNCC2)C1.
What is the InChIKey of 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SHDGKLJNYYQAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13-4-2-9-16(12-13)10-3-11-17-14-5-7-15-8-6-14/h4,14-15H,2-3,5-12H2,1H3.
What are the key properties of 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine?
5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 238.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106314800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).