(3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine

C16H26N2O3 — CID 124744617

IUPAC(3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(C[C@H]2CN(C)CC[C@H]2N)c(OC)c1OC
InChIInChI=1S/C16H26N2O3/c1-18-8-7-13(17)12(10-18)9-11-5-6-14(19-2)16(21-4)15(11)20-3/h5-6,12-13H,7-10,17H2,1-4H3/t12-,13+/m0/s1
InChIKeyAGGSXHAAIPDJDW-QWHCGFSZSA-N
MW294.39 g/mol
LogP1.53
Rot. Bonds5

About (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine

(3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 124744617) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine
PubChem CID124744617
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(C[C@H]2CN(C)CC[C@H]2N)c(OC)c1OC
InChIInChI=1S/C16H26N2O3/c1-18-8-7-13(17)12(10-18)9-11-5-6-14(19-2)16(21-4)15(11)20-3/h5-6,12-13H,7-10,17H2,1-4H3/t12-,13+/m0/s1
InChIKeyAGGSXHAAIPDJDW-QWHCGFSZSA-N
XLogP1.53
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 118991788
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425
3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781991
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 162432629
2-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 174667469
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine (CID 124744617) is (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine is COc1ccc(C[C@H]2CN(C)CC[C@H]2N)c(OC)c1OC.
What is the InChIKey of (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is AGGSXHAAIPDJDW-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18-8-7-13(17)12(10-18)9-11-5-6-14(19-2)16(21-4)15(11)20-3/h5-6,12-13H,7-10,17H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine?
(3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 294.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 124744617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).