1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine

C14H21N3O2 — CID 167014557

IUPAC1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ccc(N)c3c2OCO3)CC1
InChIInChI=1S/C14H21N3O2/c1-16(2)10-5-7-17(8-6-10)12-4-3-11(15)13-14(12)19-9-18-13/h3-4,10H,5-9,15H2,1-2H3
InChIKeyLPTMQKHFJRFAKU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.53
Rot. Bonds2

About 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine

1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 167014557) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID167014557
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ccc(N)c3c2OCO3)CC1
InChIInChI=1S/C14H21N3O2/c1-16(2)10-5-7-17(8-6-10)12-4-3-11(15)13-14(12)19-9-18-13/h3-4,10H,5-9,15H2,1-2H3
InChIKeyLPTMQKHFJRFAKU-UHFFFAOYSA-N
XLogP1.53
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine (CID 167014557) is 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2ccc(N)c3c2OCO3)CC1.
What is the InChIKey of 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is LPTMQKHFJRFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)10-5-7-17(8-6-10)12-4-3-11(15)13-14(12)19-9-18-13/h3-4,10H,5-9,15H2,1-2H3.
What are the key properties of 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine?
1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-1,3-benzodioxol-4-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 167014557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).