1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine

C17H26N2O — CID 117111637

IUPAC1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine
SMILESCOC1(CCc2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-20-17(8-9-17)7-6-15-2-4-16(5-3-15)14-19-12-10-18-11-13-19/h2-5,18H,6-14H2,1H3
InChIKeyMHMRBJROFXOZAJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.20
Rot. Bonds6

About 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine

1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine (PubChem CID 117111637) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine
PubChem CID117111637
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine
SMILESCOC1(CCc2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-20-17(8-9-17)7-6-15-2-4-16(5-3-15)14-19-12-10-18-11-13-19/h2-5,18H,6-14H2,1H3
InChIKeyMHMRBJROFXOZAJ-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine
CID 117111635
1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938
3-[4-(piperazin-1-ylmethyl)phenyl]propanal
CID 117336777
3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine
CID 115113293
1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine
CID 117111643
4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
CID 117111640
4-[4-(piperazin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octane
CID 117459996
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine (CID 117111637) is 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine is COC1(CCc2ccc(CN3CCNCC3)cc2)CC1.
What is the InChIKey of 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine?
The InChIKey is MHMRBJROFXOZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-17(8-9-17)7-6-15-2-4-16(5-3-15)14-19-12-10-18-11-13-19/h2-5,18H,6-14H2,1H3.
What are the key properties of 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine?
1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine is sourced from PubChem (CID 117111637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).