3-[3-(piperidin-4-ylmethoxy)propyl]pyridine

C14H22N2O — CID 44784866

IUPAC3-[3-(piperidin-4-ylmethoxy)propyl]pyridine
SMILESc1cncc(CCCOCC2CCNCC2)c1
InChIInChI=1S/C14H22N2O/c1-3-13(11-16-7-1)4-2-10-17-12-14-5-8-15-9-6-14/h1,3,7,11,14-15H,2,4-6,8-10,12H2
InChIKeyPMPAPQXHJNSMHN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds6

About 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine

3-[3-(piperidin-4-ylmethoxy)propyl]pyridine (PubChem CID 44784866) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine.

Molecular Properties

Compound Name3-[3-(piperidin-4-ylmethoxy)propyl]pyridine
PubChem CID44784866
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[3-(piperidin-4-ylmethoxy)propyl]pyridine
SMILESc1cncc(CCCOCC2CCNCC2)c1
InChIInChI=1S/C14H22N2O/c1-3-13(11-16-7-1)4-2-10-17-12-14-5-8-15-9-6-14/h1,3,7,11,14-15H,2,4-6,8-10,12H2
InChIKeyPMPAPQXHJNSMHN-UHFFFAOYSA-N
XLogP2.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 58450299
CID 58450299
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71637005
N-methyl-2-piperidin-4-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160701
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
3-pyridin-3-ylpropyl 2-cyclohexylacetate
CID 78842305
3-pyridin-3-ylpropyl 3-cyclopentylpropanoate
CID 78842165
4-methyl-N-piperidin-4-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 118527402
3-(2-cyclobutylethyl)pyridine
CID 57204476
2-piperidin-4-yloxy-N-(2-pyridin-3-ylethyl)acetamide
CID 55252246

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine?
The IUPAC name of 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine (CID 44784866) is 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine.
What is the SMILES notation for 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine?
The canonical SMILES for 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine is c1cncc(CCCOCC2CCNCC2)c1.
What is the InChIKey of 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine?
The InChIKey is PMPAPQXHJNSMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-13(11-16-7-1)4-2-10-17-12-14-5-8-15-9-6-14/h1,3,7,11,14-15H,2,4-6,8-10,12H2.
What are the key properties of 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine?
3-[3-(piperidin-4-ylmethoxy)propyl]pyridine has a molecular weight of 234.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidin-4-ylmethoxy)propyl]pyridine is sourced from PubChem (CID 44784866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).