1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine

C16H23ClN2O2 — CID 117495710

IUPAC1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(Cl)cc1OCC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-20-15-8-13(10-19-6-4-18-5-7-19)14(17)9-16(15)21-11-12-2-3-12/h8-9,12,18H,2-7,10-11H2,1H3
InChIKeyZIOLCRIKZQRQQQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.54
Rot. Bonds6

About 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine

1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine (PubChem CID 117495710) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
PubChem CID117495710
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
SMILESCOc1cc(CN2CCNCC2)c(Cl)cc1OCC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-20-15-8-13(10-19-6-4-18-5-7-19)14(17)9-16(15)21-11-12-2-3-12/h8-9,12,18H,2-7,10-11H2,1H3
InChIKeyZIOLCRIKZQRQQQ-UHFFFAOYSA-N
XLogP2.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
CID 117392715
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
CID 117429960
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441
1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
CID 117438814
4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide
CID 77089726
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
[(2R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99973684

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine?
The IUPAC name of 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine (CID 117495710) is 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine is COc1cc(CN2CCNCC2)c(Cl)cc1OCC1CC1.
What is the InChIKey of 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine?
The InChIKey is ZIOLCRIKZQRQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-20-15-8-13(10-19-6-4-18-5-7-19)14(17)9-16(15)21-11-12-2-3-12/h8-9,12,18H,2-7,10-11H2,1H3.
What are the key properties of 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine?
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine has a molecular weight of 310.82 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine is sourced from PubChem (CID 117495710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).