[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine

C17H27N3O — CID 106785322

IUPAC[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN2CCN(CC3CC3)CC2)ccc1CN
InChIInChI=1S/C17H27N3O/c1-21-17-10-15(4-5-16(17)11-18)13-20-8-6-19(7-9-20)12-14-2-3-14/h4-5,10,14H,2-3,6-9,11-13,18H2,1H3
InChIKeyHLBWWWOMUUAIIN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.68
Rot. Bonds6

About [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine

[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine (PubChem CID 106785322) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
PubChem CID106785322
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN2CCN(CC3CC3)CC2)ccc1CN
InChIInChI=1S/C17H27N3O/c1-21-17-10-15(4-5-16(17)11-18)13-20-8-6-19(7-9-20)12-14-2-3-14/h4-5,10,14H,2-3,6-9,11-13,18H2,1H3
InChIKeyHLBWWWOMUUAIIN-UHFFFAOYSA-N
XLogP1.68
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine with MolForge

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Related Compounds

[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
CID 61440178
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 84754831
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1,4-diazepan-5-one
CID 106785491
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine (CID 106785322) is [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine is COc1cc(CN2CCN(CC3CC3)CC2)ccc1CN.
What is the InChIKey of [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine?
The InChIKey is HLBWWWOMUUAIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-21-17-10-15(4-5-16(17)11-18)13-20-8-6-19(7-9-20)12-14-2-3-14/h4-5,10,14H,2-3,6-9,11-13,18H2,1H3.
What are the key properties of [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine?
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106785322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).