2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone

C19H28ClN3O2 — CID 47014936

IUPAC2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(CCOc2ccccc2Cl)CC1)N1CCCCC1
InChIInChI=1S/C19H28ClN3O2/c20-17-6-2-3-7-18(17)25-15-14-21-10-12-22(13-11-21)16-19(24)23-8-4-1-5-9-23/h2-3,6-7H,1,4-5,8-16H2
InChIKeyBPIPFBVAYULDRY-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.35
Rot. Bonds6

About 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 47014936) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID47014936
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(CCOc2ccccc2Cl)CC1)N1CCCCC1
InChIInChI=1S/C19H28ClN3O2/c20-17-6-2-3-7-18(17)25-15-14-21-10-12-22(13-11-21)16-19(24)23-8-4-1-5-9-23/h2-3,6-7H,1,4-5,8-16H2
InChIKeyBPIPFBVAYULDRY-UHFFFAOYSA-N
XLogP2.35
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55830155
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
CID 78833168
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
3-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55519050
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119839347

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 47014936) is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(CCOc2ccccc2Cl)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is BPIPFBVAYULDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c20-17-6-2-3-7-18(17)25-15-14-21-10-12-22(13-11-21)16-19(24)23-8-4-1-5-9-23/h2-3,6-7H,1,4-5,8-16H2.
What are the key properties of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 365.91 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 47014936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).