4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine

C13H26N4 — CID 134577757

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine
SMILESCN(C)CC1CCN(C2CCNC=C2N)CC1
InChIInChI=1S/C13H26N4/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14/h9,11,13,15H,3-8,10,14H2,1-2H3
InChIKeyVGISVCSEQPWODP-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.42
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine (PubChem CID 134577757) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine
PubChem CID134577757
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine
SMILESCN(C)CC1CCN(C2CCNC=C2N)CC1
InChIInChI=1S/C13H26N4/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14/h9,11,13,15H,3-8,10,14H2,1-2H3
InChIKeyVGISVCSEQPWODP-UHFFFAOYSA-N
XLogP0.42
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine (CID 134577757) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine is CN(C)CC1CCN(C2CCNC=C2N)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine?
The InChIKey is VGISVCSEQPWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14/h9,11,13,15H,3-8,10,14H2,1-2H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine has a molecular weight of 238.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,2,3,4-tetrahydropyridin-5-amine is sourced from PubChem (CID 134577757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).