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

C16H24N2O — CID 117111635

IUPAC1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine
SMILESCOC1(Cc2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-19-16(6-7-16)12-14-2-4-15(5-3-14)13-18-10-8-17-9-11-18/h2-5,17H,6-13H2,1H3
InChIKeyOUPFSTJEXAWIDI-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.81
Rot. Bonds5

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

1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine (PubChem CID 117111635) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine
PubChem CID117111635
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine
SMILESCOC1(Cc2ccc(CN3CCNCC3)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-19-16(6-7-16)12-14-2-4-15(5-3-14)13-18-10-8-17-9-11-18/h2-5,17H,6-13H2,1H3
InChIKeyOUPFSTJEXAWIDI-UHFFFAOYSA-N
XLogP1.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine
CID 117111637
4-[(4-methoxypiperidin-4-yl)methyl]phenol
CID 105477714
4-[4-(piperazin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octane
CID 117459996
[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
5-[[4-(1,5,8,13-tetrazabicyclo[11.2.2]heptadecan-5-ylmethyl)phenyl]methyl]-1,5,8,13-tetrazabicyclo[11.2.2]heptadecane
CID 158835050
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128
azane;1-benzylpiperazine
CID 174866973
dizinc bis(1-[[4-(1,4,10-triaza-7-azanidacyclododec-1-ylmethyl)phenyl]methyl]-1,4,10-triaza-7-azanidacyclododecane)
CID 57372956
2-methoxy-N-[4-(piperazin-1-ylmethyl)phenyl]aniline
CID 174907104

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine (CID 117111635) is 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine is COC1(Cc2ccc(CN3CCNCC3)cc2)CC1.
What is the InChIKey of 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine?
The InChIKey is OUPFSTJEXAWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16(6-7-16)12-14-2-4-15(5-3-14)13-18-10-8-17-9-11-18/h2-5,17H,6-13H2,1H3.
What are the key properties of 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine?
1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine has a molecular weight of 260.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1-methoxycyclopropyl)methyl]phenyl]methyl]piperazine is sourced from PubChem (CID 117111635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).