5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide

C16H26N4O — CID 58538397

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCN(C)CC2)ccc1OCCC
InChIInChI=1S/C16H26N4O/c1-3-10-21-15-5-4-13(11-14(15)16(17)18)12-20-8-6-19(2)7-9-20/h4-5,11H,3,6-10,12H2,1-2H3,(H3,17,18)
InChIKeyKUYNTCAHTYZUND-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.51
Rot. Bonds6

About 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide

5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide (PubChem CID 58538397) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide
PubChem CID58538397
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCN(C)CC2)ccc1OCCC
InChIInChI=1S/C16H26N4O/c1-3-10-21-15-5-4-13(11-14(15)16(17)18)12-20-8-6-19(2)7-9-20/h4-5,11H,3,6-10,12H2,1-2H3,(H3,17,18)
InChIKeyKUYNTCAHTYZUND-UHFFFAOYSA-N
XLogP1.51
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide
CID 106790543
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
5-tert-butylsulfanyl-2-propoxybenzenecarboximidamide
CID 21420428
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65340377
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
2-propoxy-5-propylsulfonylbenzenecarboximidamide;hydrochloride
CID 21420403
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide (CID 58538397) is 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CN2CCN(C)CC2)ccc1OCCC.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide?
The InChIKey is KUYNTCAHTYZUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-10-21-15-5-4-13(11-14(15)16(17)18)12-20-8-6-19(2)7-9-20/h4-5,11H,3,6-10,12H2,1-2H3,(H3,17,18).
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide?
5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-2-propoxybenzenecarboximidamide is sourced from PubChem (CID 58538397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).