N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine

C13H27N3O — CID 131946632

IUPACN,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine
SMILESCN1CCC(CNC2CCOC2)(N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-15(2)13(5-7-16(3)8-6-13)11-14-12-4-9-17-10-12/h12,14H,4-11H2,1-3H3
InChIKeySOALAJVNPWEOEK-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds4

About N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine

N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine (PubChem CID 131946632) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine
PubChem CID131946632
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine
SMILESCN1CCC(CNC2CCOC2)(N(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-15(2)13(5-7-16(3)8-6-13)11-14-12-4-9-17-10-12/h12,14H,4-11H2,1-3H3
InChIKeySOALAJVNPWEOEK-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine?
The IUPAC name of N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine (CID 131946632) is N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine.
What is the SMILES notation for N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine?
The canonical SMILES for N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine is CN1CCC(CNC2CCOC2)(N(C)C)CC1.
What is the InChIKey of N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine?
The InChIKey is SOALAJVNPWEOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(2)13(5-7-16(3)8-6-13)11-14-12-4-9-17-10-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine?
N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine is sourced from PubChem (CID 131946632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).