5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine

C21H33N3O — CID 95897061

IUPAC5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine
SMILESC=CCC[C@H](CN1CCCC1)Oc1ccc(CN2CCCCC2)cn1
InChIInChI=1S/C21H33N3O/c1-2-3-9-20(18-24-14-7-8-15-24)25-21-11-10-19(16-22-21)17-23-12-5-4-6-13-23/h2,10-11,16,20H,1,3-9,12-15,17-18H2/t20-/m1/s1
InChIKeyNLKKBAVDOMRBKK-HXUWFJFHSA-N
MW343.51 g/mol
LogP3.88
Rot. Bonds9

About 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine

5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine (PubChem CID 95897061) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine
PubChem CID95897061
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine
SMILESC=CCC[C@H](CN1CCCC1)Oc1ccc(CN2CCCCC2)cn1
InChIInChI=1S/C21H33N3O/c1-2-3-9-20(18-24-14-7-8-15-24)25-21-11-10-19(16-22-21)17-23-12-5-4-6-13-23/h2,10-11,16,20H,1,3-9,12-15,17-18H2/t20-/m1/s1
InChIKeyNLKKBAVDOMRBKK-HXUWFJFHSA-N
XLogP3.88
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[[6-(1-pyrrolidin-1-ylhex-5-en-2-yloxy)-3-pyridinyl]methyl]piperazine
CID 56889455
4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]-1,4-oxazepane
CID 56883696
1-[6-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridazin-3-yl]azepane
CID 95199739
4-[(2S)-2-quinoxalin-2-yloxyhex-5-enyl]-1,4-oxazepane
CID 95862468
4-[(2S)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]oxy]hex-5-enyl]morpholine
CID 95867445
4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine
CID 95870073
morpholin-4-yl-[5-[(2S)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxyfuran-2-yl]methanone
CID 95877300
5-[(2R)-1-(4-methyl-1,4-diazepan-1-yl)hex-5-en-2-yl]oxypyridine-2-carbonitrile
CID 95870616
1-[(4-prop-2-enoxyphenyl)methyl]piperidine
CID 2281055
2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
CID 95123067
1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid
CID 95867504
4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine
CID 95889226

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine?
The IUPAC name of 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine (CID 95897061) is 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine is C=CCC[C@H](CN1CCCC1)Oc1ccc(CN2CCCCC2)cn1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine?
The InChIKey is NLKKBAVDOMRBKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33N3O/c1-2-3-9-20(18-24-14-7-8-15-24)25-21-11-10-19(16-22-21)17-23-12-5-4-6-13-23/h2,10-11,16,20H,1,3-9,12-15,17-18H2/t20-/m1/s1.
What are the key properties of 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine?
5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine has a molecular weight of 343.51 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine is sourced from PubChem (CID 95897061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).