4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine

C13H27N3O — CID 82734229

IUPAC4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine
SMILESCC1CC(CN)(N(C)C2CCOC2)CCN1C
InChIInChI=1S/C13H27N3O/c1-11-8-13(10-14,5-6-15(11)2)16(3)12-4-7-17-9-12/h11-12H,4-10,14H2,1-3H3
InChIKeyGJWMDQRCSPYSJZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds3

About 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine

4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine (PubChem CID 82734229) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine
PubChem CID82734229
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine
SMILESCC1CC(CN)(N(C)C2CCOC2)CCN1C
InChIInChI=1S/C13H27N3O/c1-11-8-13(10-14,5-6-15(11)2)16(3)12-4-7-17-9-12/h11-12H,4-10,14H2,1-3H3
InChIKeyGJWMDQRCSPYSJZ-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine (CID 82734229) is 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine is CC1CC(CN)(N(C)C2CCOC2)CCN1C.
What is the InChIKey of 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine?
The InChIKey is GJWMDQRCSPYSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-8-13(10-14,5-6-15(11)2)16(3)12-4-7-17-9-12/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine?
4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,1,2-trimethyl-N-(oxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 82734229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).