3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine

C13H21N3O — CID 105496857

IUPAC3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine
SMILESCOc1ccc(NC2(CN)CCCNC2)cc1
InChIInChI=1S/C13H21N3O/c1-17-12-5-3-11(4-6-12)16-13(9-14)7-2-8-15-10-13/h3-6,15-16H,2,7-10,14H2,1H3
InChIKeyCNDXHWASCZMLRD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.19
Rot. Bonds4

About 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine

3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine (PubChem CID 105496857) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine
PubChem CID105496857
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine
SMILESCOc1ccc(NC2(CN)CCCNC2)cc1
InChIInChI=1S/C13H21N3O/c1-17-12-5-3-11(4-6-12)16-13(9-14)7-2-8-15-10-13/h3-6,15-16H,2,7-10,14H2,1H3
InChIKeyCNDXHWASCZMLRD-UHFFFAOYSA-N
XLogP1.19
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine (CID 105496857) is 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine is COc1ccc(NC2(CN)CCCNC2)cc1.
What is the InChIKey of 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine?
The InChIKey is CNDXHWASCZMLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-12-5-3-11(4-6-12)16-13(9-14)7-2-8-15-10-13/h3-6,15-16H,2,7-10,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine?
3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 105496857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).