3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride

C17H29ClN2O3 — CID 120781991

IUPAC3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(CN2CCC(N)C(C)(C)C2)c(OC)c1OC.Cl
InChIInChI=1S/C17H28N2O3.ClH/c1-17(2)11-19(9-8-14(17)18)10-12-6-7-13(20-3)16(22-5)15(12)21-4;/h6-7,14H,8-11,18H2,1-5H3;1H
InChIKeyKFYFRHFZWBWCIA-UHFFFAOYSA-N
MW344.88 g/mol
LogP2.69
Rot. Bonds5

About 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120781991) has the molecular formula C17H29ClN2O3 and a molecular weight of 344.88 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120781991
Molecular FormulaC17H29ClN2O3
Molecular Weight344.88 g/mol
Exact Mass344.19
IUPAC Name3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(CN2CCC(N)C(C)(C)C2)c(OC)c1OC.Cl
InChIInChI=1S/C17H28N2O3.ClH/c1-17(2)11-19(9-8-14(17)18)10-12-6-7-13(20-3)16(22-5)15(12)21-4;/h6-7,14H,8-11,18H2,1-5H3;1H
InChIKeyKFYFRHFZWBWCIA-UHFFFAOYSA-N
XLogP2.69
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781390
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
CID 120781423
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195
1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781947
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride (CID 120781991) is 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride is COc1ccc(CN2CCC(N)C(C)(C)C2)c(OC)c1OC.Cl.
What is the InChIKey of 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is KFYFRHFZWBWCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3.ClH/c1-17(2)11-19(9-8-14(17)18)10-12-6-7-13(20-3)16(22-5)15(12)21-4;/h6-7,14H,8-11,18H2,1-5H3;1H.
What are the key properties of 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 344.88 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).