(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine

C17H26N2O2 — CID 97321684

IUPAC(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESC[C@@H]1CN(C)[C@H](C)C[C@H]1NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O2/c1-12-10-19(3)13(2)8-15(12)18-7-6-14-4-5-16-17(9-14)21-11-20-16/h4-5,9,12-13,15,18H,6-8,10-11H2,1-3H3/t12-,13-,15-/m1/s1
InChIKeyIJQQGSMMULGQFA-UMVBOHGHSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds4

About (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine

(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 97321684) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID97321684
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESC[C@@H]1CN(C)[C@H](C)C[C@H]1NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O2/c1-12-10-19(3)13(2)8-15(12)18-7-6-14-4-5-16-17(9-14)21-11-20-16/h4-5,9,12-13,15,18H,6-8,10-11H2,1-3H3/t12-,13-,15-/m1/s1
InChIKeyIJQQGSMMULGQFA-UMVBOHGHSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine with MolForge

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301541
(2R,4R,5S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 6544101
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81300420
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81295796
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774317
cis-(1R,2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 7108642
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111380119
1,2,5-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 61212215
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,2,2-tetradeuterioethanamine
CID 171439702
3-[2-(1,3-benzodioxol-5-yl)ethyl]-8-methyl-3-azabicyclo[3.2.1]octane
CID 68972233
N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 5149120
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine (CID 97321684) is (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine is C[C@@H]1CN(C)[C@H](C)C[C@H]1NCCc1ccc2c(c1)OCO2.
What is the InChIKey of (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is IJQQGSMMULGQFA-UMVBOHGHSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-10-19(3)13(2)8-15(12)18-7-6-14-4-5-16-17(9-14)21-11-20-16/h4-5,9,12-13,15,18H,6-8,10-11H2,1-3H3/t12-,13-,15-/m1/s1.
What are the key properties of (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 97321684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).