1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine

C18H24N4O2 — CID 131942864

IUPAC1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1[nH]ncc1CN(C)C1CCN(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C18H24N4O2/c1-13-14(10-19-20-13)11-21(2)15-5-7-22(8-6-15)16-3-4-17-18(9-16)24-12-23-17/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,19,20)
InChIKeyFHKOOVHHKYPXSW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.55
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine

1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 131942864) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID131942864
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1[nH]ncc1CN(C)C1CCN(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C18H24N4O2/c1-13-14(10-19-20-13)11-21(2)15-5-7-22(8-6-15)16-3-4-17-18(9-16)24-12-23-17/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,19,20)
InChIKeyFHKOOVHHKYPXSW-UHFFFAOYSA-N
XLogP2.55
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine (CID 131942864) is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine is Cc1[nH]ncc1CN(C)C1CCN(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is FHKOOVHHKYPXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-14(10-19-20-13)11-21(2)15-5-7-22(8-6-15)16-3-4-17-18(9-16)24-12-23-17/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 131942864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).