1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C17H27ClN2O — CID 120781433

IUPAC1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCOc1ccccc1/C=C/CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(2)13-19(12-10-16(17)18)11-6-8-14-7-4-5-9-15(14)20-3;/h4-9,16H,10-13,18H2,1-3H3;1H/b8-6+;
InChIKeyYPTXNFQGQYHBEU-WVLIHFOGSA-N
MW310.87 g/mol
LogP3.19
Rot. Bonds4

About 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120781433) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120781433
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCOc1ccccc1/C=C/CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(2)13-19(12-10-16(17)18)11-6-8-14-7-4-5-9-15(14)20-3;/h4-9,16H,10-13,18H2,1-3H3;1H/b8-6+;
InChIKeyYPTXNFQGQYHBEU-WVLIHFOGSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 75439448
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(3S,4S)-3-(hydroxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 157011117
(4S)-4-(methoxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-ol
CID 72856628
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 46966006
9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 127265694
methyl 3-fluoro-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidine-3-carboxylate
CID 84594370
(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
CID 30981483
(5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97126477
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methylpiperazine-2-carboxylic acid
CID 56704200
(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
CID 95707927
5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120781433) is 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is COc1ccccc1/C=C/CN1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is YPTXNFQGQYHBEU-WVLIHFOGSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-17(2)13-19(12-10-16(17)18)11-6-8-14-7-4-5-9-15(14)20-3;/h4-9,16H,10-13,18H2,1-3H3;1H/b8-6+;.
What are the key properties of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).