N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine

C20H33N3O — CID 75517123

IUPACN-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine
SMILESCc1cccc(N2CCN(CC(C)(C)NC3CCOCC3)CC2)c1
InChIInChI=1S/C20H33N3O/c1-17-5-4-6-19(15-17)23-11-9-22(10-12-23)16-20(2,3)21-18-7-13-24-14-8-18/h4-6,15,18,21H,7-14,16H2,1-3H3
InChIKeyMXGKNMNXKBUWCC-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.66
Rot. Bonds5

About N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine

N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine (PubChem CID 75517123) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine
PubChem CID75517123
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine
SMILESCc1cccc(N2CCN(CC(C)(C)NC3CCOCC3)CC2)c1
InChIInChI=1S/C20H33N3O/c1-17-5-4-6-19(15-17)23-11-9-22(10-12-23)16-20(2,3)21-18-7-13-24-14-8-18/h4-6,15,18,21H,7-14,16H2,1-3H3
InChIKeyMXGKNMNXKBUWCC-UHFFFAOYSA-N
XLogP2.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide
CID 86286611
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-(1,4-dioxan-2-ylmethyl)-4-(3-methylphenyl)piperazine
CID 171691223
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112887479
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
CID 55135742
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine?
The IUPAC name of N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine (CID 75517123) is N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine.
What is the SMILES notation for N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine?
The canonical SMILES for N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine is Cc1cccc(N2CCN(CC(C)(C)NC3CCOCC3)CC2)c1.
What is the InChIKey of N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine?
The InChIKey is MXGKNMNXKBUWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-17-5-4-6-19(15-17)23-11-9-22(10-12-23)16-20(2,3)21-18-7-13-24-14-8-18/h4-6,15,18,21H,7-14,16H2,1-3H3.
What are the key properties of N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine?
N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine has a molecular weight of 331.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]oxan-4-amine is sourced from PubChem (CID 75517123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).