1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine

C18H28ClN3O — CID 120847588

IUPAC1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
SMILESClc1ccccc1OCCN1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C18H28ClN3O/c19-17-5-1-2-6-18(17)23-13-12-21-8-10-22(11-9-21)15-16-4-3-7-20-14-16/h1-2,5-6,16,20H,3-4,7-15H2
InChIKeyWSEMAYJEYGOIEE-UHFFFAOYSA-N
MW337.89 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine

1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine (PubChem CID 120847588) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
PubChem CID120847588
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
SMILESClc1ccccc1OCCN1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C18H28ClN3O/c19-17-5-1-2-6-18(17)23-13-12-21-8-10-22(11-9-21)15-16-4-3-7-20-14-16/h1-2,5-6,16,20H,3-4,7-15H2
InChIKeyWSEMAYJEYGOIEE-UHFFFAOYSA-N
XLogP2.34
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
CID 56898536
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119839347
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
CID 120849162
1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978835
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
2-[2-(2-chlorophenoxy)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102850259
(2,3-dichlorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930219
4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120851446

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine (CID 120847588) is 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine is Clc1ccccc1OCCN1CCN(CC2CCCNC2)CC1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine?
The InChIKey is WSEMAYJEYGOIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c19-17-5-1-2-6-18(17)23-13-12-21-8-10-22(11-9-21)15-16-4-3-7-20-14-16/h1-2,5-6,16,20H,3-4,7-15H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine?
1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine has a molecular weight of 337.89 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine is sourced from PubChem (CID 120847588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).