3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine

C15H21ClN2O — CID 56898536

IUPAC3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
SMILESClc1ccccc1OC1CN(CC2CCCNC2)C1
InChIInChI=1S/C15H21ClN2O/c16-14-5-1-2-6-15(14)19-13-10-18(11-13)9-12-4-3-7-17-8-12/h1-2,5-6,12-13,17H,3-4,7-11H2
InChIKeyRUUHJBNEFZWSSO-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.40
Rot. Bonds4

About 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine

3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine (PubChem CID 56898536) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
PubChem CID56898536
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
SMILESClc1ccccc1OC1CN(CC2CCCNC2)C1
InChIInChI=1S/C15H21ClN2O/c16-14-5-1-2-6-15(14)19-13-10-18(11-13)9-12-4-3-7-17-8-12/h1-2,5-6,12-13,17H,3-4,7-11H2
InChIKeyRUUHJBNEFZWSSO-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
CID 120847588
3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 120852346
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120851446
3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 157039183
3-(2-chlorophenoxy)azetidine;hydrochloride
CID 66591566
(1S,5R)-6-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 154894592
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
CID 120849162

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine?
The IUPAC name of 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine (CID 56898536) is 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine is Clc1ccccc1OC1CN(CC2CCCNC2)C1.
What is the InChIKey of 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine?
The InChIKey is RUUHJBNEFZWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-5-1-2-6-15(14)19-13-10-18(11-13)9-12-4-3-7-17-8-12/h1-2,5-6,12-13,17H,3-4,7-11H2.
What are the key properties of 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine?
3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine has a molecular weight of 280.80 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine is sourced from PubChem (CID 56898536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).